- InChI
- InChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h4,8H,1H2,2-3H3
- InChI Key
- OYWGYGPXPDGOGH-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C=CC#CC(C)(C)O
- Molecular Weight1
- 110.15
- CAS
- 690-94-8
- Other Names
-
- Dimethyl(vinylethynyl)carbinol
- 2-Methyl-5-hexen-3-yn-2-ol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -4169.20 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 164.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 46.20 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | -14.60 ± 0.70 | kJ/mol | NIST |
| ΔfusH° | 12.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [60.80; 60.80] | kJ/mol |
|
| ΔvapH° | 60.80 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 60.80 | kJ/mol | NIST |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 0.947 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Tboil | 454.19 | K | Joback Calculated Property |
| Tc | 651.10 | K | Joback Calculated Property |
| Tfus | 336.23 | K | Joback Calculated Property |
| Vc | 0.379 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.15; 254.62] | J/mol×K | [454.19; 651.10] |
|
| Cp,gas | 204.15 | J/mol×K | 454.19 | Joback Calculated Property |
| Cp,gas | 213.91 | J/mol×K | 487.01 | Joback Calculated Property |
| Cp,gas | 223.09 | J/mol×K | 519.83 | Joback Calculated Property |
| Cp,gas | 231.72 | J/mol×K | 552.64 | Joback Calculated Property |
| Cp,gas | 239.83 | J/mol×K | 585.46 | Joback Calculated Property |
| Cp,gas | 247.46 | J/mol×K | 618.28 | Joback Calculated Property |
| Cp,gas | 254.62 | J/mol×K | 651.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-3-yn-2-ol, 2-methyl-.
Sources
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