- InChI
- InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1
- InChI Key
- BRRVXFOKWJKTGG-HTQZYQBOSA-N
- Formula
- C9H18O
- SMILES
- CC1CC(O)CC(C)(C)C1
- Molecular Weight1
- 142.24
- CAS
- 767-54-4
- Other Names
-
- 3,3,5-Trimethylcyclohexanol, (E)-
- trans-3,5,5-trimethylcyclohexan-1-ol
- 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).
- Inp : Non-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° | -108.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 132.680 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Inp | [1119.00; 1119.00] |
|
|
| Inp | 1119.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Tboil | 507.95 | K | Joback Calculated Property |
| Tc | 703.29 | K | Joback Calculated Property |
| Tfus | 330.20 ± 2.00 | K | NIST |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.20; 408.14] | J/mol×K | [507.95; 703.29] |
|
| Cp,gas | 322.20 | J/mol×K | 507.95 | Joback Calculated Property |
| Cp,gas | 338.50 | J/mol×K | 540.51 | Joback Calculated Property |
| Cp,gas | 353.91 | J/mol×K | 573.06 | Joback Calculated Property |
| Cp,gas | 368.51 | J/mol×K | 605.62 | Joback Calculated Property |
| Cp,gas | 382.36 | J/mol×K | 638.18 | Joback Calculated Property |
| Cp,gas | 395.55 | J/mol×K | 670.73 | Joback Calculated Property |
| Cp,gas | 408.14 | J/mol×K | 703.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 3,3,5-trimethyl-, trans-.
Sources
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