- InChI
- InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
- InChI Key
- IRUCBBFNLDIMIK-BQYQJAHWSA-N
- Formula
- C8H16
- SMILES
- CCCC=CCCC
- Molecular Weight1
- 112.21
- CAS
- 14850-23-8
- Other Names
-
- (4E)-4-Octene
- (E)-4-C8H16
- (E)-4-octene
- (E)-Oct-4-ene
- n-trans-4-Octene
- trans-4-octene
- trans-n-4-Octene
- trans-oct-4-ene
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3221 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [39.70; 42.90] | kJ/mol |
|
| ΔvapH° | 42.90 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| IE | [8.83; 9.01] | eV |
|
| IE | 8.84 ± 0.01 | eV | NIST |
| IE | 8.83 ± 0.01 | eV | NIST |
| IE | 9.01 ± 0.01 | eV | NIST |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [782.90; 806.00] |
|
|
| Inp | 794.70 | NIST | |
| Inp | 782.90 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 792.80 | NIST | |
| Inp | 793.10 | NIST | |
| Inp | 783.90 | NIST | |
| Inp | 784.10 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.60 | NIST | |
| Inp | 786.50 | NIST | |
| Inp | 786.50 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.40 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 786.90 | NIST | |
| Inp | 783.40 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.10 | NIST | |
| Inp | 784.20 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 794.25 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | Outlier 806.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 794.25 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 795.00 | NIST | |
| Ip | [839.00; 842.00] |
|
|
| Ip | 840.00 | NIST | |
| Ip | 841.00 | NIST | |
| Ip | 839.00 | NIST | |
| Ip | 839.00 | NIST | |
| Ip | 842.00 | NIST | |
| Ip | 840.10 | NIST | |
| Ip | 839.30 | NIST | |
| Ip | 839.00 | NIST | |
| Ip | 841.90 | NIST | |
| Ip | 839.00 | NIST | |
| Ip | 840.10 | NIST | |
| Ip | 839.30 | NIST | |
| Ip | 841.90 | NIST | |
| Ip | 841.00 | NIST | |
| Ip | 841.00 | NIST | |
| Tboil | [393.40; 397.00] | K |
|
| Tboil | Outlier 397.00 | K | NIST |
| Tboil | 395.50 | K | NIST |
| Tboil | 395.50 ± 0.20 | K | NIST |
| Tboil | 395.38 ± 0.30 | K | NIST |
| Tboil | 395.55 ± 0.50 | K | NIST |
| Tboil | 395.25 ± 0.60 | K | NIST |
| Tboil | 395.44 ± 0.30 | K | NIST |
| Tboil | 395.44 ± 0.30 | K | NIST |
| Tboil | 395.52 ± 0.20 | K | NIST |
| Tboil | 395.44 ± 0.30 | K | NIST |
| Tboil | 395.52 ± 0.20 | K | NIST |
| Tboil | 393.85 ± 1.50 | K | NIST |
| Tboil | Outlier 393.40 ± 2.00 | K | NIST |
| Tc | 566.30 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tfus | [166.80; 189.00] | K |
|
| Tfus | 166.80 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 179.31 ± 0.05 | K | NIST |
| Tfus | 179.34 ± 0.03 | K | NIST |
| Tfus | 178.20 ± 1.00 | K | NIST |
| Tfus | 179.35 ± 0.20 | K | NIST |
| Tfus | 189.00 ± 2.00 | K | NIST |
| Tfus | 179.15 ± 1.50 | K | NIST |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [37.40; 43.20] | kJ/mol | [292.00; 374.50] |
|
| ΔvapH | 43.20 ± 0.30 | kJ/mol | 292.00 | NIST |
| ΔvapH | 37.40 | kJ/mol | 374.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 394.20 | K | 98.70 | 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 | [0.0046025; 0.0001886] | Pa×s | [178.74; 396.41] |
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. | 178.74 | |||
| Temperature range, max. | 396.41 | |||
| η | 0.0046025 | Pa×s | 178.74 | Calculated Property |
| η | 0.0023005 | Pa×s | 202.92 | Calculated Property |
| η | 0.0013329 | Pa×s | 227.11 | Calculated Property |
| η | 0.0008578 | Pa×s | 251.29 | Calculated Property |
| η | 0.0005965 | Pa×s | 275.48 | Calculated Property |
| η | 0.0004398 | Pa×s | 299.67 | Calculated Property |
| η | 0.0003394 | Pa×s | 323.85 | Calculated Property |
| η | 0.0002715 | Pa×s | 348.04 | Calculated Property |
| η | 0.0002236 | Pa×s | 372.22 | Calculated Property |
| η | 0.0001886 | Pa×s | 396.41 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [286.69; 422.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42776e+01 | |||
| Coefficient B | -3.37979e+03 | |||
| Coefficient C | -4.51000e+01 | |||
| Temperature range, min. | 286.69 | |||
| Temperature range, max. | 422.05 | |||
| Pvap | 1.33 | kPa | 286.69 | Calculated Property |
| Pvap | 3.03 | kPa | 301.73 | Calculated Property |
| Pvap | 6.28 | kPa | 316.77 | Calculated Property |
| Pvap | 12.05 | kPa | 331.81 | Calculated Property |
| Pvap | 21.69 | kPa | 346.85 | Calculated Property |
| Pvap | 36.92 | kPa | 361.89 | Calculated Property |
| Pvap | 59.88 | kPa | 376.93 | Calculated Property |
| Pvap | 93.13 | kPa | 391.97 | Calculated Property |
| Pvap | 139.61 | kPa | 407.01 | Calculated Property |
| Pvap | 202.65 | kPa | 422.05 | Calculated Property |
| Pvap | [1.85e-05; 2501.64] | kPa | [179.37; 573.00] |
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 | 7.85573e+01 | |||
| Coefficient B | -7.30681e+03 | |||
| Coefficient C | -9.42308e+00 | |||
| Coefficient D | 5.67786e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 179.37 | |||
| Temperature range, max. | 573.00 | |||
| Pvap | 1.85e-05 | kPa | 179.37 | Calculated Property |
| Pvap | 7.70e-03 | kPa | 223.11 | Calculated Property |
| Pvap | 0.34 | kPa | 266.84 | Calculated Property |
| Pvap | 4.50 | kPa | 310.58 | Calculated Property |
| Pvap | 28.01 | kPa | 354.32 | Calculated Property |
| Pvap | 108.68 | kPa | 398.05 | Calculated Property |
| Pvap | 308.56 | kPa | 441.79 | Calculated Property |
| Pvap | 708.06 | kPa | 485.53 | Calculated Property |
| Pvap | 1401.63 | kPa | 529.26 | Calculated Property |
| Pvap | 2501.64 | kPa | 573.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octene, (E)-.
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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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