- InChI
- InChI=1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3
- InChI Key
- ZDVJGWXFXGJSIU-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CC(C)CCC(C)O
- Molecular Weight1
- 116.20
- CAS
- 627-59-8
- Other Names
-
- 2-Methyl-5-hexanol
- 5-Methylhexanol-(2)
- 5-methyl-2-hexanol
- 5-methylhexan-2-ol
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5792 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Aq. Solubility Prediction | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Tboil | [422.00; 422.20] | K |
|
| Tboil | 422.20 | K | NIST |
| Tboil | 422.15 ± 3.00 | K | NIST |
| Tboil | 422.15 ± 3.00 | K | NIST |
| Tboil | 422.00 ± 5.00 | K | NIST |
| Tc | 591.26 | K | Relay (1.0) Calculated Property |
| Tfus | 223.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [324.07; 445.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.62024e+01 | |||
| Coefficient B | -4.17747e+03 | |||
| Coefficient C | -6.15770e+01 | |||
| Temperature range, min. | 324.07 | |||
| Temperature range, max. | 445.15 | |||
| Pvap | 1.33 | kPa | 324.07 | Calculated Property |
| Pvap | 2.90 | kPa | 337.52 | Calculated Property |
| Pvap | 5.86 | kPa | 350.98 | Calculated Property |
| Pvap | 11.12 | kPa | 364.43 | Calculated Property |
| Pvap | 19.99 | kPa | 377.88 | Calculated Property |
| Pvap | 34.27 | kPa | 391.34 | Calculated Property |
| Pvap | 56.30 | kPa | 404.79 | Calculated Property |
| Pvap | 89.11 | kPa | 418.24 | Calculated Property |
| Pvap | 136.40 | kPa | 431.70 | Calculated Property |
| Pvap | 202.64 | kPa | 445.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanol, 5-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Calorimetric and FTIR study of selected aliphatic heptanols
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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