- InChI
- InChI=1S/C8H12O/c1-4-6-7-8(3,9)5-2/h2,4,9H,1,6-7H2,3H3
- InChI Key
- PVJVUJJZSINIGV-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C#CC(C)(O)CCC=C
- Molecular Weight1
- 124.18
- CAS
- 51193-99-8
- 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° | 193.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.337 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Tboil | 458.19 | K | Joback Calculated Property |
| Tc | 641.88 | K | Joback Calculated Property |
| Tfus | 288.37 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.84; 299.68] | J/mol×K | [458.19; 641.88] | 
|
| Cp,gas | 244.84 | J/mol×K | 458.19 | Joback Calculated Property |
| Cp,gas | 255.44 | J/mol×K | 488.80 | Joback Calculated Property |
| Cp,gas | 265.41 | J/mol×K | 519.42 | Joback Calculated Property |
| Cp,gas | 274.79 | J/mol×K | 550.03 | Joback Calculated Property |
| Cp,gas | 283.60 | J/mol×K | 580.65 | Joback Calculated Property |
| Cp,gas | 291.89 | J/mol×K | 611.26 | Joback Calculated Property |
| Cp,gas | 299.68 | J/mol×K | 641.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-6-hepten-1-yn-3-ol.
Sources
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