- InChI
- InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
- InChI Key
- UMIPWJGWASORKV-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C#CCCCCCC
- Molecular Weight1
- 110.20
- CAS
- 629-05-0
- Other Names
-
- HEXYLACETYLENE
- Octyne-1
- oct-1-yne
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 239.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.70 ± 3.60 | kJ/mol | NIST |
| ΔfusH° | 19.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [42.30; 42.34] | kJ/mol |
|
| ΔvapH° | 42.34 | kJ/mol | NIST |
| ΔvapH° | 42.30 ± 0.10 | kJ/mol | NIST |
| IE | 9.95 ± 0.02 | eV | NIST |
| log10WS | [-3.66; -3.66] |
|
|
| log10WS | -3.66 | Aq. Sol... | |
| log10WS | -3.66 | Estimat... | |
| logPoct/wat | 2.590 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| Inp | [783.00; 812.00] |
|
|
| Inp | 783.52 | NIST | |
| Inp | 783.52 | NIST | |
| Inp | 783.60 | NIST | |
| Inp | 787.50 | NIST | |
| Inp | 788.10 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 784.50 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.80 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 811.00 | NIST | |
| I | [1031.00; 1047.10] |
|
|
| I | 1031.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1034.00 | NIST | |
| I | 1047.10 | NIST | |
| Tboil | 372.56 | K | Joback Calculated Property |
| Tc | 547.48 | K | Joback Calculated Property |
| Tfus | [193.65; 200.38] | K |
|
| Tfus | 200.38 | K | Aq. Sol... |
| Tfus | 193.67 ± 0.10 | K | NIST |
| Tfus | 193.65 ± 0.30 | K | NIST |
| Tfus | 194.15 ± 1.50 | K | NIST |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.74; 270.87] | J/mol×K | [372.56; 547.48] |
|
| Cp,gas | 207.74 | J/mol×K | 372.56 | Joback Calculated Property |
| Cp,gas | 219.42 | J/mol×K | 401.71 | Joback Calculated Property |
| Cp,gas | 230.61 | J/mol×K | 430.87 | Joback Calculated Property |
| Cp,gas | 241.34 | J/mol×K | 460.02 | Joback Calculated Property |
| Cp,gas | 251.62 | J/mol×K | 489.17 | Joback Calculated Property |
| Cp,gas | 261.46 | J/mol×K | 518.33 | Joback Calculated Property |
| Cp,gas | 270.87 | J/mol×K | 547.48 | Joback Calculated Property |
| ΔvapH | [35.83; 38.50] | kJ/mol | [378.50; 399.40] |
|
| ΔvapH | 38.50 | kJ/mol | 378.50 | NIST |
| ΔvapH | 35.83 | kJ/mol | 399.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [293.11; 426.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39482e+01 | |||
| Coefficient B | -3.12653e+03 | |||
| Coefficient C | -6.42400e+01 | |||
| Temperature range, min. | 293.11 | |||
| Temperature range, max. | 426.24 | |||
| Pvap | 1.33 | kPa | 293.11 | Calculated Property |
| Pvap | 3.06 | kPa | 307.90 | Calculated Property |
| Pvap | 6.37 | kPa | 322.69 | Calculated Property |
| Pvap | 12.26 | kPa | 337.49 | Calculated Property |
| Pvap | 22.06 | kPa | 352.28 | Calculated Property |
| Pvap | 37.48 | kPa | 367.07 | Calculated Property |
| Pvap | 60.62 | kPa | 381.86 | Calculated Property |
| Pvap | 93.94 | kPa | 396.66 | Calculated Property |
| Pvap | 140.25 | kPa | 411.45 | Calculated Property |
| Pvap | 202.63 | kPa | 426.24 | Calculated Property |
| Pvap | [25.95; 103.40] | kPa | [357.15; 400.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -2.39993e+00 | |||
| Coefficient B | -4.34412e+03 | |||
| Coefficient C | 3.22566e+00 | |||
| Coefficient D | -8.94889e-06 | |||
| Temperature range, min. | 357.15 | |||
| Temperature range, max. | 400.15 | |||
| Pvap | 25.95 | kPa | 357.15 | Calculated Property |
| Pvap | 30.84 | kPa | 361.93 | Calculated Property |
| Pvap | 36.47 | kPa | 366.71 | Calculated Property |
| Pvap | 42.90 | kPa | 371.48 | Calculated Property |
| Pvap | 50.24 | kPa | 376.26 | Calculated Property |
| Pvap | 58.55 | kPa | 381.04 | Calculated Property |
| Pvap | 67.93 | kPa | 385.82 | Calculated Property |
| Pvap | 78.46 | kPa | 390.59 | Calculated Property |
| Pvap | 90.26 | kPa | 395.37 | Calculated Property |
| Pvap | 103.40 | kPa | 400.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octyne.
Mixtures
- Ethanol, 2,2'-oxybis- + 1-Octyne
- Triethylene glycol + 1-Octyne
- Acetic acid, pentyl ester + 1-Octyne
- 1,2-Ethanediol + Tetramethylammonium chloride + 1-Octyne
- Tetramethylammonium chloride + Glycerin + 1-Octyne
- Dimethyl Sulfoxide + 1-Octyne
- 1-Octyne + N-Formylmorpholine
- 2-Pyrrolidinone, 1-methyl- + 1-Octyne
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Determination of activity coefficients at infinite dilution of organic solutes in the ionic liquid, trihexyl(tetradecyl)-phosphonium tris(pentafluoroethyl) trifluorophosphate, by gas liquid chromatography
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid N-butyl-4-methylpyridinium tosylate using GLC at T = (328.15, 333.15, 338.15, and 343.15)K
- Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate using GLC
- Activity coefficients at infinite dilution measurements for organic solutes and water in the 1-hexyloxymethyl-3-methyl-imidazolium and 1,3-dihexyloxymethyl-imidazolium bis(trifluoromethylsulfonyl)-imide ionic liquids The cation influence
- Gas-liquid chromatography measurements of activity coefficients at infinite dilution of hydrocarbons and alkanols in 1-alkyl-3-methylimidazolium bis(oxalato)borate
- Activity coefficients at infinite dilution of organic solvents and water in 1-butyl-3-methylimidazolium dicyanamide. A literature review of hexane/hex-1-ene separation
- High selective water/butan-1-ol separation on investigation of limiting activity coefficients with [P8,8,8,8][[NTf2] ionic liquid
- Separation of binary mixtures based on limiting activity coefficients data using specific ammonium-based ionic liquid and modelling of thermodynamic functions
- Measurements of activity coefficient at infinite dilution for organic solutes in tetramethylammonium chloride + ethylene glycol deep eutectic solvent using gas-liquid chromatography
- Tetramethylammonium chloride + glycerol deep eutectic solvent as separation agent for organic liquid mixtures: Assessment from experimental limiting activity coefficients
- Thermodynamics and activity coefficients at infinite dilution for organic solutes in the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide
- New ionic liquid [P4,4,4,4][NTf2] in bio-butanol extraction on investigation of limiting activity coefficients
- Ammonium ionic liquids in extraction of bio-butan-1-ol from water phase using activity coefficients at infinite dilution
- Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid 1-butyl-3-methyl-imidazolium 2-(2-methoxyethoxy) ethyl sulfate using g.l.c. at T = (298.15, 303.15, and 308.15) K
- Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid hexyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)-imide using g.l.c. at T = (298.15, 313.15, and 333.15) K
- Measurements of activity coefficients at infinite dilution of aromatic and aliphatic hydrocarbons, alcohols, and water in the new ionic liquid [EMIM][SCN] using GLC
- Activity coefficients at infinite dilution measurements for organic solutes in the ionic liquid trihexyltetradecylphosphonium-bis-(2,4,4-trimethylpentyl)- phosphinate using g.l.c. at T = (303.15, 308.15, 313.15, and 318.15) K
- Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid triethylsulphonium bis(trifluoromethylsulfonyl)imide
- Measurements of activity coefficients at infinite dilution of aliphatic and aromatic hydrocarbons, alcohols, thiophene, tetrahydrofuran, MTBE, and water in ionic liquid [BMIM][SCN] using GLC
- Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 4-methyl-N-butyl-pyridinium bis(trifluoromethylsulfonyl)-imide
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium trifluoromethanesulfonate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
- Activity coefficients at infinite dilution for solutes in the trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid using gas liquid chromatography
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
- Gas liquid chromatography measurements of activity coefficients at infinite dilution of various organic solutes and water in tri-iso-butylmethylphosphonium tosylate ionic liquid
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate [EMIM][TCB] using gas liquid chromatography
- Relation between characteristic molecular volume and hydrophobicity of nonpolar molecules
- Measurements of activity coefficients at infinite dilution of organic solutes and water in 1-propyl-1-methylpiperidinium bis{(trifluoromethyl)sulfonyl}imide ionic liquid using g.l.c.
- Activity coefficients at infinite dilution of organic solutes in N-alkylpyridinium bis(trifluoromethylsulfonyl)imide ([CnPY][NTf2], n = 2, 4, 5) using gas liquid chromatography
- Measurements of activity coefficients at infinite dilution of organic compounds and water in isoquinolinium-based ionic liquid [C8iQuin][NTf2] using GLC
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyl(tetradecyl)phosphonium tetrafluoroborate using gas liquid chromatography at T = (313.15, 333.15, 353.15, and 373.15) K
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-butyl-3-methylimidazolium hexafluoroantimonate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid, methyl(trioctyl)ammonium thiosalicylate, [N1888][TS] by gas liquid chromatography at T = (303.15, 313.15, and 323.15) K
- Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(3-hydroxypropyl)pyridinium bis(trifluoromethylsulfonyl)-amide
- Thermodynamics and activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tetracyanoborate
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
- Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyltetradecylphosphonium hexafluorophosphate using gas liquid chromatography at T = (313.15, 333.15, 353.15, and 363.15) K
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide
- Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate
- Physicochemical properties and activity coefficients at infinite dilution for organic solutes and water in a novel bicyclic guanidinium superbase-derived protic ionic liquid
- Experimental and theoretical study on infinite dilution activity coefficients of various solutes in piperidinium ionic liquids
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate
- Measurements of activity coefficients at infinite dilution for organic solutes and water in N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] using GLC
- Activity coefficients at infinite dilution of organic solutes in N-formylmorpholine and N-methylpyrrolidone from gas-liquid chromatography
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)- 3-methylimidazolium trifluorotris(perfluoroethyl)phosphate
- Activity coefficients at infinite dilution of organic solutes in diethylene glycol and triethylene glycol from gas-liquid chromatography
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography at T = (313.15, 333.15, 353.15 and 373.15) K
- Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide
- Thermodynamics and activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylmorpholinium tricyanomethanide
- The study of activity coefficients at infinite dilution for organic solutes and water in 1-butyl-4-methylpyridinium dicyanamide, [B4MPy][DCA] using GLC
- Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium 2-(2-methoxyethoxy) ethylsulfate at T = (308.15, 313.15, 323.15 and 333.15) K using gas + liquid chromatography
- Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(3-hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
- Activity coefficients at infinite dilution for organic solutes and water in 1-ethyl-1-methylpyrrolidinium lactate
- Activity coefficients at infinite dilution, physicochemical and thermodynamic properties for organic solutes and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris-(perfluoroethyl)phosphate
- Screening of environmental friendly ionic liquid as a solvent for the different types of separations problem: Insight from activity coefficients at infinite dilution measurement using (gas + liquid) chromatography technique
- A 1-alkylcyanopyridinium-based ionic liquid in the separation processes
- Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquid
- Separation of aliphatic from aromatic hydrocarbons and sulphur compounds from fuel based on measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid N,N-diethyl-N-methyl-N-(2-methoxy-ethyl)ammonium bis(trifluoromethylsulfonyl)imide
- Thermodynamics and limiting activity coefficients measurements for organic solutes and water in the ionic liquid 1-dodecyl-3-methylimidzolium bis(trifluoromethylsulfonyl) imide
- Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on limiting activity coefficients
- Separation of water/butan-1-ol based on activity coefficients at infinite dilution in 1,3-didecyl-2-methylimidazolium dicyanamide ionic liquid
- Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on gamma infinity data measurements
- Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid trihexyl-tetradecyl-phosphonium tricyanomethanide
- Thermodynamic study of molecular interaction-selectivity in separation processes based on limiting activity coefficients
- Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
- The use of ionic liquids for separation of binary hydrocarbons mixtures based on gamma infinity data measurements
- Activity Coefficients at Infinite Dilution of Organic Solutes and Water in Tributylethylphosphonium Diethylphosphate Using Gas Liquid Chromatography: Thermodynamic Properties of Mixtures Containing Ionic Liquids
- Determination of Activity Coefficients at Infinite Dilution of Organic Solutes in the Ionic Liquid 1-(2-Hydroxyethyl)-3-methylimidazolium Nonafluoro-1-butanesulfonate Using Gas-Liquid Chromatography
- Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent
- Activity Coefficients at Infinite Dilution of Organic Solutes in 1-Hexyl-3-methylimidazolium Hexafluorophosphate from Gas-Liquid Chromatography
- Determination of Activity Coefficients at Infinite Dilution of Solutes in the Ionic Liquid 1-Hexyl-3-methylimidazolium Tetrafluoroborate Using Gas-Liquid Chromatography at the Temperatures 298.15 K and 323.15 K
- Determination of Activity Coefficients at Infinite Dilution of Polar and Nonpolar Solutes in the Ionic Liquid 1-Ethyl-3-methyl- imidazolium Bis(trifluoromethylsulfonyl) Imidate Using Gas-Liquid Chromatography at the Temperature 303.15 K or 318.15 K
- Determination of Activity Coefficients at Infinite Dilution of Solutes in the Ionic Liquid 1-Butyl-3-methylimidazolium Octyl Sulfate Using Gas-Liquid Chromatography at a Temperature of 298.15 K, 313.15 K, or 328.15 K
- Infinite Dilution Activity Coefficients for Trihexyltetradecyl Phosphonium Ionic Liquids: Measurements and COSMO-RS Prediction
- Activity Coefficients at Infinite Dilution Measurements for Organic Solutes and Water in the Ionic Liquid 1-Butyl-3-methyl-pyridinium Trifluoromethanesulfonate
- Determination of Activity Coefficients at Infinite Dilution of 35 Solutes in the Ionic Liquid, 1-Butyl-3-methylimidazolium Tosylate, Using Gas-Liquid Chromatography
- Measurements of Activity Coefficients at Infinite Dilution for Organic Solutes and Water in the Ionic Liquid 1-Butyl-1-methylpiperydinium Thiocyanate
- Determination of Activity Coefficients at Infinite Dilution of Solutes in the Ionic Liquid, Trihexyltetradecylphosphonium Bis(trifluoromethylsulfonyl) Imide, Using Gas-Liquid Chromatography at T ) (303.15, 308.15, 313.15, and 318.15) K
- Activity Coefficients at Infinite Dilution of Organic Solutes in 1-Ethyl-3-methylimidazolium Tris(pentafluoroethyl)trifluorophosphate [EMIM][FAP] Using Gas-Liquid Chromatography
- Activity Coefficients at Infinite Dilution Measurements for Organic Solutes and Water in the Ionic Liquid 1-Hexyl-3-methylimidazolium Thiocyanate
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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