- InChI
- InChI=1S/C9H14O/c1-5-9(4,10)7-6-8(2)3/h10H,2,5H2,1,3-4H3
- InChI Key
- VSSPEZDVPCUEIR-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- C=C(C)C#CC(C)(O)CC
- Molecular Weight1
- 138.21
- CAS
- 3601-67-0
- 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° | 173.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 1.727 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 499.83 | K | Joback Calculated Property |
| Tc | 695.63 | K | Joback Calculated Property |
| Tfus | 344.81 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.42; 349.14] | J/mol×K | [499.83; 695.63] | 
|
| Cp,gas | 286.42 | J/mol×K | 499.83 | Joback Calculated Property |
| Cp,gas | 298.46 | J/mol×K | 532.46 | Joback Calculated Property |
| Cp,gas | 309.81 | J/mol×K | 565.10 | Joback Calculated Property |
| Cp,gas | 320.52 | J/mol×K | 597.73 | Joback Calculated Property |
| Cp,gas | 330.62 | J/mol×K | 630.37 | Joback Calculated Property |
| Cp,gas | 340.15 | J/mol×K | 663.00 | Joback Calculated Property |
| Cp,gas | 349.14 | J/mol×K | 695.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-Dimethyl-6-hepten-4-yn-3-ol.
Sources
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