- InChI
- InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3
- InChI Key
- ILPBINAXDRFYPL-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC=CCCCCC
- Molecular Weight1
- 112.22
- CAS
- 111-67-1
- Other Names
-
- 2-Octene (mixed cis, trans isomers)
- Oct-2-ene
- Octene-2
- trans-2-Octene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.3500 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ΔfG° | 96.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2766.18 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Inp | [799.00; 827.00] |
|
|
| Inp | 805.00 | NIST | |
| Inp | 802.50 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 804.40 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | Outlier 827.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 805.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 804.40 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 805.00 | NIST | |
| Inp | Outlier 827.00 | NIST | |
| Ip | [842.00; 880.00] |
|
|
| Ip | 858.00 | NIST | |
| Ip | 850.00 | NIST | |
| Ip | 854.00 | NIST | |
| Ip | 848.00 | NIST | |
| Ip | 843.00 | NIST | |
| Ip | 842.00 | NIST | |
| Ip | 846.00 | NIST | |
| Ip | 860.00 | NIST | |
| Ip | 864.00 | NIST | |
| Ip | 843.00 | NIST | |
| Ip | 846.00 | NIST | |
| Ip | Outlier 880.00 | NIST | |
| Ip | 875.00 | NIST | |
| Ip | 843.00 | NIST | |
| Tboil | [396.40; 398.65] | K |
|
| Tboil | 398.20 ± 1.50 | K | NIST |
| Tboil | 397.40 ± 0.50 | K | NIST |
| Tboil | 397.40 ± 0.40 | K | NIST |
| Tboil | 397.15 ± 4.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tboil | 398.35 ± 0.70 | K | NIST |
| Tboil | 398.30 ± 0.60 | K | NIST |
| Tboil | 398.35 ± 0.60 | K | NIST |
| Tboil | 398.35 ± 0.30 | K | NIST |
| Tboil | 398.35 ± 0.50 | K | NIST |
| Tboil | 397.35 ± 2.00 | K | NIST |
| Tboil | Outlier 396.40 ± 3.00 | K | NIST |
| Tboil | 398.30 ± 0.20 | K | NIST |
| Tboil | 398.25 ± 0.30 | K | NIST |
| Tboil | 398.65 ± 3.00 | K | NIST |
| Tc | 580.37 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tfus | [179.00; 185.15] | K |
|
| Tfus | 185.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 179.00 ± 2.00 | K | NIST |
| Tfus | 179.11 ± 0.20 | K | NIST |
| Tfus | 179.11 ± 0.30 | K | NIST |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 239.30 | J/mol×K | 298.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.19; 401.47] | 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 | -1.85660e+01 | |||
| Coefficient B | 7.83840e-01 | |||
| Coefficient C | -4.95200e-04 | |||
| Coefficient D | 1.31400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 325.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 367.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 401.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043353; 0.0001769] | Pa×s | [180.59; 406.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11996e+01 | |||
| Coefficient B | 1.03996e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 180.59 | |||
| Temperature range, max. | 406.26 | |||
| η | 0.0043353 | Pa×s | 180.59 | Calculated Property |
| η | 0.0021484 | Pa×s | 205.67 | Calculated Property |
| η | 0.0012401 | Pa×s | 230.74 | Calculated Property |
| η | 0.0007973 | Pa×s | 255.82 | Calculated Property |
| η | 0.0005546 | Pa×s | 280.89 | Calculated Property |
| η | 0.0004095 | Pa×s | 305.96 | Calculated Property |
| η | 0.0003165 | Pa×s | 331.04 | Calculated Property |
| η | 0.0002537 | Pa×s | 356.11 | Calculated Property |
| η | 0.0002094 | Pa×s | 381.19 | Calculated Property |
| η | 0.0001769 | Pa×s | 406.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [295.94; 422.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49776e+01 | |||
| Coefficient B | -3.58631e+03 | |||
| Coefficient C | -5.18080e+01 | |||
| Temperature range, min. | 295.94 | |||
| Temperature range, max. | 422.82 | |||
| Pvap | 1.33 | kPa | 295.94 | Calculated Property |
| Pvap | 2.97 | kPa | 310.04 | Calculated Property |
| Pvap | 6.10 | kPa | 324.14 | Calculated Property |
| Pvap | 11.67 | kPa | 338.23 | Calculated Property |
| Pvap | 20.99 | kPa | 352.33 | Calculated Property |
| Pvap | 35.83 | kPa | 366.43 | Calculated Property |
| Pvap | 58.42 | kPa | 380.53 | Calculated Property |
| Pvap | 91.50 | kPa | 394.62 | Calculated Property |
| Pvap | 138.31 | kPa | 408.72 | Calculated Property |
| Pvap | 202.62 | kPa | 422.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octene.
Sources
- 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).
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Chemical Equilibrium of the Liquid-Phase Dehydration of 1-Octanol to 1-(Octyloxy)octane
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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