- InChI
- InChI=1S/C11H14O2/c12-10-7-4-8-11(10,13)9-5-2-1-3-6-9/h1-3,5-6,10,12-13H,4,7-8H2
- InChI Key
- CWTWKJLRHPCTRR-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- OC1CCCC1(O)c1ccccc1
- Molecular Weight1
- 178.23
- CAS
- 81155-86-4
- 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 | [-5916.60; -5910.30] | kJ/mol |
|
| ΔcH°solid | -5916.60 | kJ/mol | NIST |
| ΔcH°solid | -5910.30 ± 4.20 | kJ/mol | NIST |
| ΔfG° | -96.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.51 | kJ/mol | Joback Calculated Property |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 1.419 | Crippen Calculated Property | |
| McVol | 142.970 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Tboil | 672.97 | K | Joback Calculated Property |
| Tc | 882.35 | K | Joback Calculated Property |
| Tfus | 392.35 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.53; 467.20] | J/mol×K | [672.97; 882.35] |
|
| Cp,gas | 399.53 | J/mol×K | 672.97 | Joback Calculated Property |
| Cp,gas | 412.01 | J/mol×K | 707.87 | Joback Calculated Property |
| Cp,gas | 423.85 | J/mol×K | 742.76 | Joback Calculated Property |
| Cp,gas | 435.17 | J/mol×K | 777.66 | Joback Calculated Property |
| Cp,gas | 446.09 | J/mol×K | 812.56 | Joback Calculated Property |
| Cp,gas | 456.73 | J/mol×K | 847.45 | Joback Calculated Property |
| Cp,gas | 467.20 | J/mol×K | 882.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenylcyclopentane-cis-1,2-diol.
Sources
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