- InChI
- InChI=1S/C12H18O2/c1-8(13)11-7-9-10(14-11)5-4-6-12(9,2)3/h4-5,7-8,10-11,13H,6H2,1-3H3
- InChI Key
- SUABBKPMOURIHF-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CC(O)C1C=C2C(C=CCC2(C)C)O1
- Molecular Weight1
- 194.27
- 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).
- I : Polar retention indices.
- 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° | -52.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.047 | Crippen Calculated Property | |
| McVol | 161.360 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| I | [1952.00; 1952.00] |
|
|
| I | 1952.00 | NIST | |
| I | 1952.00 | NIST | |
| I | 1952.00 | NIST | |
| Tboil | 617.81 | K | Joback Calculated Property |
| Tc | 826.00 | K | Joback Calculated Property |
| Tfus | 356.41 | K | Joback Calculated Property |
| Vc | 0.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.20; 529.28] | J/mol×K | [617.81; 826.00] |
|
| Cp,gas | 446.20 | J/mol×K | 617.81 | Joback Calculated Property |
| Cp,gas | 461.85 | J/mol×K | 652.51 | Joback Calculated Property |
| Cp,gas | 476.60 | J/mol×K | 687.21 | Joback Calculated Property |
| Cp,gas | 490.60 | J/mol×K | 721.91 | Joback Calculated Property |
| Cp,gas | 503.97 | J/mol×K | 756.60 | Joback Calculated Property |
| Cp,gas | 516.82 | J/mol×K | 791.30 | Joback Calculated Property |
| Cp,gas | 529.28 | J/mol×K | 826.00 | Joback Calculated Property |
Similar Compounds
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Sources
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