Chemical Properties of 1-Pentyne (CAS 627-19-0)

InChI

InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3

InChI Key

IBXNCJKFFQIKKY-UHFFFAOYSA-N

Formula

C5H8

SMILES

C#CCCC

Molecular Weight¹

68.12

CAS

627-19-0

Other Names

• Acetylene, propyl-
• C3H7C«equiv»CH
• C3H7C«equiv»CH
• PROPYLACETYLENE
• pent-1-yne

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1640		KDB
μ	0.90	debye	KDB
ΔfG°	210.40	kJ/mol	KDB
Δc,grossH	3226.62	kJ/mol	KDB
Δc,netH	3050.554	kJ/mol	KDB
ΔfH°gas	[144.30; 144.40]	kJ/mol
ΔfH°gas	144.40	kJ/mol	KDB
ΔfH°gas	144.30 ± 2.10	kJ/mol	NIST
ΔfusH°	11.68	kJ/mol	Joback Calculated Property
ΔvapH°	28.40	kJ/mol	NIST
IE	[10.05; 10.10]	eV
IE	10.10 ± 0.01	eV	NIST
IE	10.05	eV	NIST
IE	10.10 ± 0.02	eV	NIST
IE	10.10 ± 0.01	eV	NIST
log10WS	[-1.64; -1.64]
log10WS	-1.64		Aq. Sol...
log10WS	-1.64		Estimat...
logPoct/wat	1.420		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	4050.00	kPa	KDB
Inp	[484.00; 517.00]
Inp	484.40		NIST
Inp	484.80		NIST
Inp	484.00		NIST
Inp	Outlier 517.00		NIST
Inp	510.00		NIST
Inp	484.50		NIST
Inp	484.00		NIST
Inp	484.00		NIST
Inp	484.00		NIST
Inp	484.00		NIST
Inp	509.00		NIST
Inp	484.00		NIST
Inp	484.00		NIST
Inp	484.40		NIST
Inp	484.50		NIST
Inp	484.00		NIST
Inp	509.00		NIST
Tboil	[312.15; 315.15]	K
Tboil	313.33	K	KDB
Tboil	313.00	K	NIST
Tboil	313.40	K	NIST
Tboil	312.80 ± 2.00	K	NIST
Tboil	313.38 ± 0.20	K	NIST
Tboil	313.33 ± 0.20	K	NIST
Tboil	312.20 ± 1.00	K	NIST
Tboil	312.85 ± 1.00	K	NIST
Tboil	312.65 ± 2.00	K	NIST
Tboil	313.35 ± 0.40	K	NIST
Tboil	313.40 ± 0.20	K	NIST
Tboil	Outlier 315.15 ± 2.00	K	NIST
Tboil	313.35 ± 0.30	K	NIST
Tboil	312.65 ± 1.50	K	NIST
Tboil	312.45 ± 0.50	K	NIST
Tboil	313.15 ± 1.00	K	NIST
Tboil	312.85 ± 0.60	K	NIST
Tboil	312.15 ± 1.00	K	NIST
Tboil	313.15 ± 0.70	K	NIST
Tboil	312.90 ± 0.80	K	NIST
Tboil	312.95 ± 1.00	K	NIST
Tboil	313.15 ± 1.50	K	NIST
Tboil	313.15 ± 1.00	K	NIST
Tc	493.50	K	KDB
Tfus	[166.65; 183.00]	K
Tfus	183.00	K	KDB
Tfus	172.48	K	Aq. Sol...
Tfus	166.65 ± 0.30	K	NIST
Tfus	167.08 ± 0.20	K	NIST
Vc	0.278	m3/kmol	KDB
Zc	0.2743950		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.43; 147.68]	J/mol×K	[303.92; 478.30]
Cp,gas	108.43	J/mol×K	303.92	Joback Calculated Property
Cp,gas	115.69	J/mol×K	332.98	Joback Calculated Property
Cp,gas	122.65	J/mol×K	362.05	Joback Calculated Property
Cp,gas	129.31	J/mol×K	391.11	Joback Calculated Property
Cp,gas	135.70	J/mol×K	420.17	Joback Calculated Property
Cp,gas	141.82	J/mol×K	449.24	Joback Calculated Property
Cp,gas	147.68	J/mol×K	478.30	Joback Calculated Property
ΔvapH	[27.74; 31.80]	kJ/mol	[272.00; 313.40]
ΔvapH	31.80	kJ/mol	272.00	NIST
ΔvapH	27.74	kJ/mol	313.40	KDB
n0	1.38260		298.15	KDB
ρl	690.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[233.02; 333.62]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39994e+01
Coefficient B			-2.38534e+03
Coefficient C			-5.90590e+01
Temperature range, min.			233.02
Temperature range, max.			333.62
Pvap	1.33	kPa	233.02	Calculated Property
Pvap	3.05	kPa	244.20	Calculated Property
Pvap	6.35	kPa	255.38	Calculated Property
Pvap	12.23	kPa	266.55	Calculated Property
Pvap	22.00	kPa	277.73	Calculated Property
Pvap	37.40	kPa	288.91	Calculated Property
Pvap	60.51	kPa	300.09	Calculated Property
Pvap	93.83	kPa	311.26	Calculated Property
Pvap	140.17	kPa	322.44	Calculated Property
Pvap	202.67	kPa	333.62	Calculated Property
Pvap	[2.47e-03; 4064.44]	kPa	[167.45; 481.20]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.86812e+01
Coefficient B			-5.16272e+03
Coefficient C			-6.64398e+00
Coefficient D			6.01492e-06
Temperature range, min.			167.45
Temperature range, max.			481.20
Pvap	2.47e-03	kPa	167.45	Calculated Property
Pvap	0.15	kPa	202.31	Calculated Property
Pvap	2.50	kPa	237.17	Calculated Property
Pvap	18.22	kPa	272.03	Calculated Property
Pvap	79.72	kPa	306.89	Calculated Property
Pvap	248.55	kPa	341.76	Calculated Property
Pvap	613.54	kPa	376.62	Calculated Property
Pvap	1283.96	kPa	411.48	Calculated Property
Pvap	2385.65	kPa	446.34	Calculated Property
Pvap	4064.44	kPa	481.20	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentyne.

Mixtures

• 1-Pentyne + Ethanol, 2,2'-oxybis-
• 1-Pentyne + Triethylene glycol
• 1-Pentyne + N-Formylmorpholine
• 2-Pyrrolidinone, 1-methyl- + 1-Pentyne

Sources

• KDB Vapor Pressure Data
• Crippen Method
• 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
• 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
• Application of trihexyltetradecylphosphonium dicyanamide ionic liquid for various types of separations problems: Activity coefficients at infinite dilution measurements utilizing GLC method
• 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 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
• Activity coefficients at infinite dilution of organic solutes in N-alkylpyridinium bis(trifluoromethylsulfonyl)imide ([CnPY][NTf2], n = 2, 4, 5) using gas liquid chromatography
• 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 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 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
• 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
• Assessment of Pyrrolidinium-Based Ionic Liquid for the Separation of Binary Mixtures Based on Activity Coefficients at Infinite Dilution
• 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.