- 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-SFYZADRCSA-N
- Formula
- C9H18O
- SMILES
- CC1CC(O)CC(C)(C)C1
- Molecular Weight1
- 142.24
- CAS
- 933-48-2
- Other Names
-
- 3,3,5-Trimethylcyclohexanol, (Z)-
- cis-3,3,5-Trimethylcyclohexanol
- cis-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).
- Pvap : Vapor 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° | -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 |
| Tboil | 507.95 | K | Joback Calculated Property |
| Tc | 703.29 | K | Joback Calculated Property |
| Tfus | 310.90 ± 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [365.12; 511.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53419e+01 | |||
| Coefficient B | -4.39401e+03 | |||
| Coefficient C | -7.32420e+01 | |||
| Temperature range, min. | 365.12 | |||
| Temperature range, max. | 511.31 | |||
| Pvap | 1.33 | kPa | 365.12 | Calculated Property |
| Pvap | 2.95 | kPa | 381.36 | Calculated Property |
| Pvap | 6.02 | kPa | 397.61 | Calculated Property |
| Pvap | 11.49 | kPa | 413.85 | Calculated Property |
| Pvap | 20.67 | kPa | 430.09 | Calculated Property |
| Pvap | 35.33 | kPa | 446.34 | Calculated Property |
| Pvap | 57.74 | kPa | 462.58 | Calculated Property |
| Pvap | 90.74 | kPa | 478.82 | Calculated Property |
| Pvap | 137.72 | kPa | 495.07 | Calculated Property |
| Pvap | 202.64 | kPa | 511.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 3,3,5-trimethyl-, cis-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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