- InChI
- InChI=1S/C13H16O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
- InChI Key
- DQZKGSRJOUYVPL-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- O=C(OC1CCCCC1)c1ccccc1
- Molecular Weight1
- 204.26
- CAS
- 2412-73-9
- Other Names
-
- Cyclohexyl benzoate
- Hexahydrophenyl benzoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -38.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.176 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Inp | [1657.00; 1657.00] |
|
|
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Tboil | 619.36 | K | Joback Calculated Property |
| Tc | 859.53 | K | Joback Calculated Property |
| Tfus | 342.23 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.78; 528.86] | J/mol×K | [619.36; 859.53] |
|
| Cp,gas | 433.78 | J/mol×K | 619.36 | Joback Calculated Property |
| Cp,gas | 452.99 | J/mol×K | 659.39 | Joback Calculated Property |
| Cp,gas | 470.80 | J/mol×K | 699.42 | Joback Calculated Property |
| Cp,gas | 487.25 | J/mol×K | 739.44 | Joback Calculated Property |
| Cp,gas | 502.38 | J/mol×K | 779.47 | Joback Calculated Property |
| Cp,gas | 516.23 | J/mol×K | 819.50 | Joback Calculated Property |
| Cp,gas | 528.86 | J/mol×K | 859.53 | Joback Calculated Property |
| η | [0.0001789; 0.0026458] | Pa×s | [342.23; 619.36] |
|
| η | 0.0026458 | Pa×s | 342.23 | Joback Calculated Property |
| η | 0.0012931 | Pa×s | 388.42 | Joback Calculated Property |
| η | 0.0007358 | Pa×s | 434.61 | Joback Calculated Property |
| η | 0.0004666 | Pa×s | 480.80 | Joback Calculated Property |
| η | 0.0003205 | Pa×s | 526.98 | Joback Calculated Property |
| η | 0.0002339 | Pa×s | 573.17 | Joback Calculated Property |
| η | 0.0001789 | Pa×s | 619.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, cyclohexyl ester.
Sources
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