- InChI
- InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
- InChI Key
- ZCHHRLHTBGRGOT-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CCCC=CCO
- Molecular Weight1
- 100.16
- CAS
- 2305-21-7
- Other Names
-
- 2-hexenol
- hex-2-en-1-ol
- 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).
- 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° | -56.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.59 | kJ/mol | Joback Calculated Property |
| log10WS | -1.45 | Crippen Calculated Property | |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Inp | [847.00; 872.00] |
|
|
| Inp | 854.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 849.90 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 862.00 | NIST | |
| I | [1364.00; 1415.00] |
|
|
| I | 1368.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1408.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1382.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1415.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1408.00 | NIST | |
| Tboil | 433.02 | K | Joback Calculated Property |
| Tc | 601.76 | K | Joback Calculated Property |
| Tfus | 213.12 | K | Joback Calculated Property |
| Vc | 0.370 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.78; 240.99] | J/mol×K | [433.02; 601.76] |
|
| Cp,gas | 191.78 | J/mol×K | 433.02 | Joback Calculated Property |
| Cp,gas | 200.94 | J/mol×K | 461.14 | Joback Calculated Property |
| Cp,gas | 209.69 | J/mol×K | 489.27 | Joback Calculated Property |
| Cp,gas | 218.06 | J/mol×K | 517.39 | Joback Calculated Property |
| Cp,gas | 226.05 | J/mol×K | 545.51 | Joback Calculated Property |
| Cp,gas | 233.69 | J/mol×K | 573.64 | Joback Calculated Property |
| Cp,gas | 240.99 | J/mol×K | 601.76 | Joback Calculated Property |
| η | [0.0002006; 0.0918576] | Pa×s | [213.12; 433.02] |
|
| η | 0.0918576 | Pa×s | 213.12 | Joback Calculated Property |
| η | 0.0156415 | Pa×s | 249.77 | Joback Calculated Property |
| η | 0.0041899 | Pa×s | 286.42 | Joback Calculated Property |
| η | 0.0015133 | Pa×s | 323.07 | Joback Calculated Property |
| η | 0.0006726 | Pa×s | 359.72 | Joback Calculated Property |
| η | 0.0003473 | Pa×s | 396.37 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 433.02 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [329.72; 447.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.67197e+01 | |||
| Coefficient B | -4.41089e+03 | |||
| Coefficient C | -6.12880e+01 | |||
| Temperature range, min. | 329.72 | |||
| Temperature range, max. | 447.93 | |||
| Pvap | 1.33 | kPa | 329.72 | Calculated Property |
| Pvap | 2.87 | kPa | 342.85 | Calculated Property |
| Pvap | 5.77 | kPa | 355.99 | Calculated Property |
| Pvap | 10.92 | kPa | 369.12 | Calculated Property |
| Pvap | 19.63 | kPa | 382.26 | Calculated Property |
| Pvap | 33.70 | kPa | 395.39 | Calculated Property |
| Pvap | 55.53 | kPa | 408.53 | Calculated Property |
| Pvap | 88.22 | kPa | 421.66 | Calculated Property |
| Pvap | 135.68 | kPa | 434.80 | Calculated Property |
| Pvap | 202.64 | kPa | 447.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexen-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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