- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3
- InChI Key
- MELUCTCJOARQQG-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- CC#CCCC
- Molecular Weight1
- 82.14
- CAS
- 764-35-2
- Other Names
-
- 1-METHYL-2-PROPYLACETYLENE
- C3H7C«equiv»CCH3
- C3H7C«equiv»CCH3
- Hex-2-yne
- Methyl(propyl)acetylene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 806.10 | kJ/mol | NIST |
| BasG | 781.10 | kJ/mol | NIST |
| ΔfG° | 202.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.70 ± 2.40 | kJ/mol | NIST |
| ΔfusH° | 14.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.80; 35.90] | kJ/mol |
|
| ΔvapH° | 35.80 | kJ/mol | NIST |
| ΔvapH° | 35.90 | kJ/mol | NIST |
| IE | [9.37; 9.97] | eV |
|
| IE | 9.37 ± 0.01 | eV | NIST |
| IE | 9.37 ± 0.05 | eV | NIST |
| IE | 9.37 ± 0.02 | eV | NIST |
| IE | 9.37 ± 0.01 | eV | NIST |
| IE | 9.97 ± 0.05 | eV | NIST |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.810 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | [638.00; 655.00] |
|
|
| Inp | 642.00 | NIST | |
| Inp | 642.20 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | Outlier 655.00 | NIST | |
| Inp | Outlier 655.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 645.00 | NIST | |
| I | [860.00; 876.60] |
|
|
| I | 860.00 | NIST | |
| I | 864.00 | NIST | |
| I | 862.00 | NIST | |
| I | 876.60 | NIST | |
| Tboil | [84.45; 359.15] | K |
|
| Tboil | 357.00 | K | NIST |
| Tboil | 357.70 | K | NIST |
| Tboil | Outlier 84.45 ± 0.20 | K | NIST |
| Tboil | 357.00 ± 1.50 | K | NIST |
| Tboil | 357.00 ± 2.00 | K | NIST |
| Tboil | 357.34 ± 0.30 | K | NIST |
| Tboil | 357.28 ± 0.30 | K | NIST |
| Tboil | 356.55 ± 0.50 | K | NIST |
| Tboil | 357.67 ± 0.30 | K | NIST |
| Tboil | 356.70 ± 1.00 | K | NIST |
| Tboil | 317.62 ± 0.30 | K | NIST |
| Tboil | 357.70 ± 0.50 | K | NIST |
| Tboil | 356.65 ± 1.50 | K | NIST |
| Tboil | 359.15 ± 2.00 | K | NIST |
| Tboil | 356.95 ± 0.50 | K | NIST |
| Tboil | 357.00 ± 0.70 | K | NIST |
| Tboil | 357.65 ± 2.00 | K | NIST |
| Tboil | 356.65 ± 3.00 | K | NIST |
| Tboil | 356.65 ± 3.00 | K | NIST |
| Tboil | 357.00 ± 3.00 | K | NIST |
| Tc | 534.57 | K | Joback Calculated Property |
| Tfus | [183.57; 185.15] | K |
|
| Tfus | 183.57 ± 0.30 | K | NIST |
| Tfus | 185.15 ± 1.50 | K | NIST |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.04; 187.51] | J/mol×K | [345.68; 534.57] |
|
| Cp,gas | 138.04 | J/mol×K | 345.68 | Joback Calculated Property |
| Cp,gas | 147.09 | J/mol×K | 377.16 | Joback Calculated Property |
| Cp,gas | 155.80 | J/mol×K | 408.64 | Joback Calculated Property |
| Cp,gas | 164.19 | J/mol×K | 440.13 | Joback Calculated Property |
| Cp,gas | 172.27 | J/mol×K | 471.61 | Joback Calculated Property |
| Cp,gas | 180.04 | J/mol×K | 503.09 | Joback Calculated Property |
| Cp,gas | 187.51 | J/mol×K | 534.57 | Joback Calculated Property |
| ΔvapH | [30.50; 31.60] | kJ/mol | [275.50; 303.50] |
|
| ΔvapH | 31.60 | kJ/mol | 275.50 | NIST |
| ΔvapH | 30.50 | kJ/mol | 303.50 | NIST |
| Pvap | [1.37; 64.09] | kPa | [263.15; 343.15] |
|
| Pvap | 1.37 | kPa | 263.15 | Isother... |
| Pvap | 1.39 | kPa | 263.15 | Thermod... |
| Pvap | 2.61 | kPa | 273.15 | Thermod... |
| Pvap | 2.56 | kPa | 273.15 | Isother... |
| Pvap | 4.53 | kPa | 283.15 | Isother... |
| Pvap | 4.63 | kPa | 283.15 | Thermod... |
| Pvap | 7.66 | kPa | 293.15 | Isother... |
| Pvap | 7.84 | kPa | 293.15 | Thermod... |
| Pvap | 9.80 | kPa | 298.15 | Isother... |
| Pvap | 10.05 | kPa | 298.15 | Thermod... |
| Pvap | 12.43 | kPa | 303.15 | Isother... |
| Pvap | 12.75 | kPa | 303.15 | Thermod... |
| Pvap | 19.45 | kPa | 313.15 | Isother... |
| Pvap | 19.99 | kPa | 313.15 | Thermod... |
| Pvap | 30.32 | kPa | 323.15 | Thermod... |
| Pvap | 29.46 | kPa | 323.15 | Isother... |
| Pvap | 44.66 | kPa | 333.15 | Thermod... |
| Pvap | 43.35 | kPa | 333.15 | Isother... |
| Pvap | 64.09 | kPa | 343.15 | Thermod... |
| Pvap | 62.15 | kPa | 343.15 | Isother... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [259.87; 382.53] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38554e+01 | |||
| Coefficient B | -2.83032e+03 | |||
| Coefficient C | -5.12610e+01 | |||
| Temperature range, min. | 259.87 | |||
| Temperature range, max. | 382.53 | |||
| Pvap | 1.33 | kPa | 259.87 | Calculated Property |
| Pvap | 3.06 | kPa | 273.50 | Calculated Property |
| Pvap | 6.40 | kPa | 287.13 | Calculated Property |
| Pvap | 12.32 | kPa | 300.76 | Calculated Property |
| Pvap | 22.17 | kPa | 314.39 | Calculated Property |
| Pvap | 37.66 | kPa | 328.01 | Calculated Property |
| Pvap | 60.86 | kPa | 341.64 | Calculated Property |
| Pvap | 94.21 | kPa | 355.27 | Calculated Property |
| Pvap | 140.46 | kPa | 368.90 | Calculated Property |
| Pvap | 202.66 | kPa | 382.53 | Calculated Property |
| Pvap | [5.50e-04; 3571.59] | kPa | [183.65; 549.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.73075e+01 | |||
| Coefficient B | -7.03102e+03 | |||
| Coefficient C | -1.08954e+01 | |||
| Coefficient D | 7.99421e-06 | |||
| Temperature range, min. | 183.65 | |||
| Temperature range, max. | 549.00 | |||
| Pvap | 5.50e-04 | kPa | 183.65 | Calculated Property |
| Pvap | 0.07 | kPa | 224.24 | Calculated Property |
| Pvap | 1.70 | kPa | 264.84 | Calculated Property |
| Pvap | 14.77 | kPa | 305.43 | Calculated Property |
| Pvap | 69.78 | kPa | 346.03 | Calculated Property |
| Pvap | 223.17 | kPa | 386.62 | Calculated Property |
| Pvap | 551.27 | kPa | 427.22 | Calculated Property |
| Pvap | 1143.43 | kPa | 467.81 | Calculated Property |
| Pvap | 2104.85 | kPa | 508.41 | Calculated Property |
| Pvap | 3571.59 | kPa | 549.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexyne.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Thermodynamics of isomeric hexynes +MTBE binary mixtures
- Isothermal vapour liquid equilibria and excess molar enthalpies of hex-2-yne + methyl butyl ether and hex-3-yne + dibutyl ether mixtures
- Isothermal vapor-liquid equilibria and excess enthalpies of binary mixtures of propyl ethanoate + 1-hexyne, +2-hexyne, +3-hexyne
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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