- InChI
- InChI=1S/C7H14O/c1-6(2)5-7(3,4)8/h8H,1,5H2,2-4H3
- InChI Key
- YYWMKLMWCPTKDJ-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- C=C(C)CC(C)(C)O
- Molecular Weight1
- 114.19
- CAS
- 19781-53-4
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5591 | Relay (... Calculated Property | |
| ΔfG° | -46.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.27 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -0.66 | Relay (... Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| I | 1195.00 | NIST | |
| Tboil | 410.56 | K | Relay (... Calculated Property |
| Tc | 587.54 | K | Relay (... Calculated Property |
| Tfus | 227.86 | K | Relay (... Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.02; 293.01] | J/mol×K | [445.07; 621.61] | 
|
| Cp,gas | 234.02 | J/mol×K | 445.07 | Joback Calculated Property |
| Cp,gas | 245.22 | J/mol×K | 474.49 | Joback Calculated Property |
| Cp,gas | 255.85 | J/mol×K | 503.92 | Joback Calculated Property |
| Cp,gas | 265.91 | J/mol×K | 533.34 | Joback Calculated Property |
| Cp,gas | 275.44 | J/mol×K | 562.76 | Joback Calculated Property |
| Cp,gas | 284.47 | J/mol×K | 592.18 | Joback Calculated Property |
| Cp,gas | 293.01 | J/mol×K | 621.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-4-penten-2-ol.
Sources
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