- InChI
- InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3/b5-3+
- InChI Key
- KWUXUOPPQQMMIL-HWKANZROSA-N
- Formula
- C6H12O
- SMILES
- CC=CC(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
- «alpha»-Ethyl-«gamma»-methylallyl alcohol
- 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).
- 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).
- 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 | 0.5109 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Tboil | 408.40 ± 1.50 | K | NIST |
| Tc | 566.57 | K | Relay (1.0) Calculated Property |
| Tfus | 225.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.87; 242.44] | J/mol×K | [432.58; 605.02] | 
|
| Cp,gas | 191.87 | J/mol×K | 432.58 | Joback Calculated Property |
| Cp,gas | 201.31 | J/mol×K | 461.32 | Joback Calculated Property |
| Cp,gas | 210.32 | J/mol×K | 490.06 | Joback Calculated Property |
| Cp,gas | 218.92 | J/mol×K | 518.80 | Joback Calculated Property |
| Cp,gas | 227.13 | J/mol×K | 547.54 | Joback Calculated Property |
| Cp,gas | 234.96 | J/mol×K | 576.28 | Joback Calculated Property |
| Cp,gas | 242.44 | J/mol×K | 605.02 | Joback Calculated Property |
| η | [0.0001926; 0.2423961] | Pa×s | [198.12; 432.58] |
|
| η | 0.2423961 | Pa×s | 198.12 | Joback Calculated Property |
| η | 0.0276896 | Pa×s | 237.20 | Joback Calculated Property |
| η | 0.0058431 | Pa×s | 276.27 | Joback Calculated Property |
| η | 0.0018131 | Pa×s | 315.35 | Joback Calculated Property |
| η | 0.0007282 | Pa×s | 354.43 | Joback Calculated Property |
| η | 0.0003506 | Pa×s | 393.50 | Joback Calculated Property |
| η | 0.0001926 | Pa×s | 432.58 | 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)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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