- InChI
- InChI=1S/C7H14O/c1-5-6(2)7(3,4)8/h5,8H,1-4H3/b6-5+
- InChI Key
- PGCNLWGJQKSWAP-AATRIKPKSA-N
- Formula
- C7H14O
- SMILES
- CC=C(C)C(C)(C)O
- Molecular Weight1
- 114.19
- CAS
- 19781-52-3
- 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).
- 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 | 0.4954 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Tboil | 414.02 | K | Relay (1.0) Calculated Property |
| Tc | 594.56 | K | Relay (1.0) Calculated Property |
| Tfus | 238.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.15; 293.78] | J/mol×K | [452.55; 633.86] | 
|
| Cp,gas | 234.15 | J/mol×K | 452.55 | Joback Calculated Property |
| Cp,gas | 245.58 | J/mol×K | 482.77 | Joback Calculated Property |
| Cp,gas | 256.37 | J/mol×K | 512.99 | Joback Calculated Property |
| Cp,gas | 266.55 | J/mol×K | 543.21 | Joback Calculated Property |
| Cp,gas | 276.16 | J/mol×K | 573.42 | Joback Calculated Property |
| Cp,gas | 285.22 | J/mol×K | 603.64 | Joback Calculated Property |
| Cp,gas | 293.78 | J/mol×K | 633.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethyl-4-penten-2-ol.
Sources
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