- InChI
- InChI=1S/C9H16O/c1-4-5-6-9(10)7-8(2)3/h8-10H,4,7H2,1-3H3
- InChI Key
- YBGQRUFRRPFNKW-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CCC#CC(O)CC(C)C
- Molecular Weight1
- 140.22
- CAS
- 60657-70-7
- 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° | 86.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 1.807 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 505.62 | K | Joback Calculated Property |
| Tc | 690.89 | K | Joback Calculated Property |
| Tfus | 328.11 | K | Joback Calculated Property |
| Vc | 0.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.75; 367.39] | J/mol×K | [505.62; 690.89] | 
|
| Cp,gas | 301.75 | J/mol×K | 505.62 | Joback Calculated Property |
| Cp,gas | 313.95 | J/mol×K | 536.50 | Joback Calculated Property |
| Cp,gas | 325.63 | J/mol×K | 567.38 | Joback Calculated Property |
| Cp,gas | 336.80 | J/mol×K | 598.26 | Joback Calculated Property |
| Cp,gas | 347.47 | J/mol×K | 629.14 | Joback Calculated Property |
| Cp,gas | 357.67 | J/mol×K | 660.02 | Joback Calculated Property |
| Cp,gas | 367.39 | J/mol×K | 690.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-5-octyn-4-ol.
Sources
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