- InChI
- InChI=1S/C12H16O2/c13-11-8-4-5-9-12(11,14)10-6-2-1-3-7-10/h1-3,6-7,11,13-14H,4-5,8-9H2/t11-,12+/m0/s1
- InChI Key
- QHNHEYDAIICUDL-NWDGAFQWSA-N
- Formula
- C12H16O2
- SMILES
- OC1CCCCC1(O)c1ccccc1
- Molecular Weight1
- 192.25
- CAS
- 27167-34-6
- Other Names
-
- 1-Phenyl-trans-1,2-cyclohexanediol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-6543.80; -6536.70] | kJ/mol |
|
| ΔcH°solid | -6543.80 | kJ/mol | NIST |
| ΔcH°solid | -6536.70 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -99.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 1.809 | Crippen Calculated Property | |
| McVol | 157.060 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Tboil | 700.12 | K | Joback Calculated Property |
| Tc | 912.50 | K | Joback Calculated Property |
| Tfus | 400.10 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.96; 527.78] | J/mol×K | [700.12; 912.50] |
|
| Cp,gas | 452.96 | J/mol×K | 700.12 | Joback Calculated Property |
| Cp,gas | 466.74 | J/mol×K | 735.52 | Joback Calculated Property |
| Cp,gas | 479.83 | J/mol×K | 770.91 | Joback Calculated Property |
| Cp,gas | 492.35 | J/mol×K | 806.31 | Joback Calculated Property |
| Cp,gas | 504.44 | J/mol×K | 841.71 | Joback Calculated Property |
| Cp,gas | 516.21 | J/mol×K | 877.10 | Joback Calculated Property |
| Cp,gas | 527.78 | J/mol×K | 912.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanediol, 1-phenyl-, trans-.
Sources
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