- InChI
- InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3
- InChI Key
- KWUXUOPPQQMMIL-HWKANZROSA-N
- Formula
- C6H12O
- SMILES
- C/C=C/C(O)CC
- Molecular Weight1
- 100.16
- CAS
- 4798-58-7
- Other Names
-
- 2-Hexen-4-ol
- Allyl alcohol, 1-ethyl-3-methyl-
- hex-4-en-3-ol
- «alpha»-Ethyl-«gamma»-methylallyl alcohol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 12.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Tboil | 408.40 ± 1.50 | K | NIST |
| Tfus | 223.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.94; 242.51] | J/mol×K | [432.78; 605.30] | 
|
| Cp,gas | 191.94 | J/mol×K | 432.78 | Joback Calculated Property |
| Cp,gas | 201.38 | J/mol×K | 461.53 | Joback Calculated Property |
| Cp,gas | 210.39 | J/mol×K | 490.29 | Joback Calculated Property |
| Cp,gas | 218.99 | J/mol×K | 519.04 | Joback Calculated Property |
| Cp,gas | 227.20 | J/mol×K | 547.79 | Joback Calculated Property |
| Cp,gas | 235.04 | J/mol×K | 576.55 | Joback Calculated Property |
| Cp,gas | 242.51 | J/mol×K | 605.30 | Joback Calculated Property |
| η | [0.0001921; 0.2423961] | Pa×s | [198.12; 432.78] |
|
| η | 0.2423961 | Pa×s | 198.12 | Joback Calculated Property |
| η | 0.0276468 | Pa×s | 237.23 | Joback Calculated Property |
| η | 0.0058298 | Pa×s | 276.34 | Joback Calculated Property |
| η | 0.0018084 | Pa×s | 315.45 | Joback Calculated Property |
| η | 0.0007262 | Pa×s | 354.56 | Joback Calculated Property |
| η | 0.0003496 | Pa×s | 393.67 | Joback Calculated Property |
| η | 0.0001921 | Pa×s | 432.78 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [310.72; 431.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59699e+01 | |||
| Coefficient B | -4.01521e+03 | |||
| Coefficient C | -5.46850e+01 | |||
| Temperature range, min. | 310.72 | |||
| Temperature range, max. | 431.40 | |||
| Pvap | 1.33 | kPa | 310.72 | Calculated Property |
| Pvap | 2.91 | kPa | 324.13 | Calculated Property |
| Pvap | 5.90 | kPa | 337.54 | Calculated Property |
| Pvap | 11.21 | kPa | 350.95 | Calculated Property |
| Pvap | 20.16 | kPa | 364.36 | Calculated Property |
| Pvap | 34.53 | kPa | 377.76 | Calculated Property |
| Pvap | 56.67 | kPa | 391.17 | Calculated Property |
| Pvap | 89.52 | kPa | 404.58 | Calculated Property |
| Pvap | 136.73 | kPa | 417.99 | Calculated Property |
| Pvap | 202.63 | kPa | 431.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexen-3-ol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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