- InChI
- InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h5,7-8H,4H2,1-3H3/b6-5+
- InChI Key
- ALSBKNSBCLYOOI-AATRIKPKSA-N
- Formula
- C7H14O
- SMILES
- CCC=C(C)C(C)O
- Molecular Weight1
- 114.19
- CAS
- 76966-27-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -59.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.50 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Tboil | 455.34 | K | Joback Calculated Property |
| Tc | 629.75 | K | Joback Calculated Property |
| Tfus | 195.43 | K | Joback Calculated Property |
| Vc | 0.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.54; 288.70] | J/mol×K | [455.34; 629.75] | 
|
| Cp,gas | 231.54 | J/mol×K | 455.34 | Joback Calculated Property |
| Cp,gas | 242.22 | J/mol×K | 484.41 | Joback Calculated Property |
| Cp,gas | 252.41 | J/mol×K | 513.48 | Joback Calculated Property |
| Cp,gas | 262.13 | J/mol×K | 542.55 | Joback Calculated Property |
| Cp,gas | 271.41 | J/mol×K | 571.61 | Joback Calculated Property |
| Cp,gas | 280.26 | J/mol×K | 600.68 | Joback Calculated Property |
| Cp,gas | 288.70 | J/mol×K | 629.75 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [329.72; 482.57] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41344e+01 | |||
| Coefficient B | -3.71692e+03 | |||
| Coefficient C | -6.12880e+01 | |||
| Temperature range, min. | 329.72 | |||
| Temperature range, max. | 482.57 | |||
| Pvap | 1.33 | kPa | 329.72 | Calculated Property |
| Pvap | 3.04 | kPa | 346.70 | Calculated Property |
| Pvap | 6.31 | kPa | 363.69 | Calculated Property |
| Pvap | 12.14 | kPa | 380.67 | Calculated Property |
| Pvap | 21.85 | kPa | 397.65 | Calculated Property |
| Pvap | 37.16 | kPa | 414.64 | Calculated Property |
| Pvap | 60.20 | kPa | 431.62 | Calculated Property |
| Pvap | 93.48 | kPa | 448.60 | Calculated Property |
| Pvap | 139.89 | kPa | 465.59 | Calculated Property |
| Pvap | 202.65 | kPa | 482.57 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3-hexen-2-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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