- 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
- Propylacetylene
- pent-1-yne
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.1640; 0.1640] |
|
|
| ω | 0.1640 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| 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. Solubility Prediction | |
| log10WS | -1.64 | Estimated Solubility | |
| logPoct/wat | 1.420 | Crippen Calculated Property | |
| McVol | 72.710 | ml/mol | McGowan Calculated Property |
| Pc | [4050.00; 4053.00] | kPa |
|
| Pc | 4053.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| 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 | [493.40; 493.50] | K |
|
| Tc | 493.40 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 493.50 | K | KDB |
| Tfus | [166.65; 183.00] | K |
|
| Tfus | 167.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 183.00 | K | KDB |
| Tfus | 172.48 | K | Aq. Solubility Prediction |
| Tfus | 166.65 ± 0.30 | K | NIST |
| Tfus | 167.08 ± 0.20 | K | NIST |
| Vc | [0.278; 0.278] | m3/kmol |
|
| Vc | 0.278 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.278 | m3/kmol | KDB |
| Zc | 0.2743950 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [100.37; 219.60] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.21220e+01 | |||
| Coefficient B | 3.84920e-01 | |||
| Coefficient C | -2.44130e-04 | |||
| Coefficient D | 6.66900e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 100.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 120.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 138.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 154.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 168.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 181.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 192.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 202.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 211.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 219.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [233.02; 333.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 5.86812e+01 | |||
| Coefficient B | -5.16272e+03 | |||
| Coefficient C | -6.64398e+00 | |||
| Coefficient D | 6.01492e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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 + N-Formylmorpholine
- 2-Pyrrolidinone, 1-methyl- + 1-Pentyne
- 1-Pentyne + Ethanol, 2,2'-oxybis-
- 1-Pentyne + Triethylene glycol
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- 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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