- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5238 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.176 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Inp | [1657.00; 1657.00] |
|
|
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Tboil | 563.50 | K | Relay (1.0) Calculated Property |
| Tc | 800.43 | K | Relay (1.0) Calculated Property |
| Tfus | 267.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.94; 525.09] | J/mol×K | [601.49; 839.62] |
|
| Cp,gas | 427.94 | J/mol×K | 601.49 | Joback Calculated Property |
| Cp,gas | 447.66 | J/mol×K | 641.18 | Joback Calculated Property |
| Cp,gas | 465.91 | J/mol×K | 680.87 | Joback Calculated Property |
| Cp,gas | 482.73 | J/mol×K | 720.56 | Joback Calculated Property |
| Cp,gas | 498.17 | J/mol×K | 760.25 | Joback Calculated Property |
| Cp,gas | 512.28 | J/mol×K | 799.93 | Joback Calculated Property |
| Cp,gas | 525.09 | J/mol×K | 839.62 | Joback Calculated Property |
| η | [0.0001626; 0.0040008] | Pa×s | [312.40; 601.49] |
|
| η | 0.0040008 | Pa×s | 312.40 | Joback Calculated Property |
| η | 0.0016421 | Pa×s | 360.58 | Joback Calculated Property |
| η | 0.0008315 | Pa×s | 408.76 | Joback Calculated Property |
| η | 0.0004860 | Pa×s | 456.94 | Joback Calculated Property |
| η | 0.0003147 | Pa×s | 505.13 | Joback Calculated Property |
| η | 0.0002198 | Pa×s | 553.31 | Joback Calculated Property |
| η | 0.0001626 | Pa×s | 601.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, cyclohexyl ester.
Sources
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