- InChI
- InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3
- InChI Key
- JPKQHUHDYLMRJW-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC#CC(C)(C)O
- Molecular Weight1
- 98.14
- CAS
- 590-38-5
- 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).
- 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° | 68.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -55.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 0.781 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 4311.22 | kPa | Joback Calculated Property |
| Tboil | 434.63 | K | Joback Calculated Property |
| Tc | 629.45 | K | Joback Calculated Property |
| Tfus | 326.72 | K | Joback Calculated Property |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.54; 229.97] | J/mol×K | [434.63; 629.45] | 
|
| Cp,gas | 181.54 | J/mol×K | 434.63 | Joback Calculated Property |
| Cp,gas | 190.81 | J/mol×K | 467.10 | Joback Calculated Property |
| Cp,gas | 199.57 | J/mol×K | 499.57 | Joback Calculated Property |
| Cp,gas | 207.84 | J/mol×K | 532.04 | Joback Calculated Property |
| Cp,gas | 215.65 | J/mol×K | 564.51 | Joback Calculated Property |
| Cp,gas | 223.01 | J/mol×K | 596.98 | Joback Calculated Property |
| Cp,gas | 229.97 | J/mol×K | 629.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-pentyn-2-ol.
Sources
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