- 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
- 112.21
- CAS
- 111-67-1
- Other Names
-
- 2-Octene (mixed cis, trans isomers)
- Oct-2-ene
- Octene-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 96.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -91.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen 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 | [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 | 805.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | Outlier 827.00 | NIST | |
| I | [842.00; 880.00] |
|
|
| I | 858.00 | NIST | |
| I | 850.00 | NIST | |
| I | 854.00 | NIST | |
| I | 848.00 | NIST | |
| I | 843.00 | NIST | |
| I | 842.00 | NIST | |
| I | 846.00 | NIST | |
| I | 860.00 | NIST | |
| I | 864.00 | NIST | |
| I | 843.00 | NIST | |
| I | 846.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | 875.00 | NIST | |
| I | 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 | 558.45 | K | Joback Calculated Property |
| Tfus | [179.00; 179.11] | K |
|
| Tfus | 179.00 ± 2.00 | K | NIST |
| Tfus | 179.11 ± 0.20 | K | NIST |
| Tfus | 179.11 ± 0.30 | K | NIST |
| Vc | 0.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.05; 287.62] | J/mol×K | [386.60; 558.45] |
|
| Cp,gas | 218.05 | J/mol×K | 386.60 | Joback Calculated Property |
| Cp,gas | 230.94 | J/mol×K | 415.24 | Joback Calculated Property |
| Cp,gas | 243.29 | J/mol×K | 443.88 | Joback Calculated Property |
| Cp,gas | 255.11 | J/mol×K | 472.53 | Joback Calculated Property |
| Cp,gas | 266.43 | J/mol×K | 501.17 | Joback Calculated Property |
| Cp,gas | 277.26 | J/mol×K | 529.81 | Joback Calculated Property |
| Cp,gas | 287.62 | J/mol×K | 558.45 | Joback Calculated Property |
| Cp,liquid | 239.30 | J/mol×K | 298.00 | NIST |
| η | [0.0002015; 0.0052396] | Pa×s | [174.84; 386.60] |
|
| η | 0.0052396 | Pa×s | 174.84 | Joback Calculated Property |
| η | 0.0019294 | Pa×s | 210.13 | Joback Calculated Property |
| η | 0.0009470 | Pa×s | 245.43 | Joback Calculated Property |
| η | 0.0005559 | Pa×s | 280.72 | Joback Calculated Property |
| η | 0.0003675 | Pa×s | 316.01 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 351.31 | Joback Calculated Property |
| η | 0.0002015 | Pa×s | 386.60 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [295.94; 422.82] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- 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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that the value is more than 2 standard deviations away from the
property mean.