- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.22; 564.67] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.30300e+01 | |||
| Coefficient B | 1.22720e+00 | |||
| Coefficient C | -7.01000e-04 | |||
| Coefficient D | 1.21500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 202.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 327.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 379.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 425.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 464.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 497.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 524.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 547.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 564.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040008; 0.0001763] | Pa×s | [312.40; 587.74] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21856e+01 | |||
| Coefficient B | 2.08193e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 312.40 | |||
| Temperature range, max. | 587.74 | |||
| η | 0.0040008 | Pa×s | 312.40 | Calculated Property |
| η | 0.0022080 | Pa×s | 342.99 | Calculated Property |
| η | 0.0013432 | Pa×s | 373.59 | Calculated Property |
| η | 0.0008809 | Pa×s | 404.18 | Calculated Property |
| η | 0.0006131 | Pa×s | 434.77 | Calculated Property |
| η | 0.0004475 | Pa×s | 465.36 | Calculated Property |
| η | 0.0003396 | Pa×s | 495.96 | Calculated Property |
| η | 0.0002661 | Pa×s | 526.55 | Calculated Property |
| η | 0.0002142 | Pa×s | 557.14 | Calculated Property |
| η | 0.0001763 | Pa×s | 587.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, cyclohexyl ester.
Sources
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