![Cyclohexanol, 5-methyl-2-(1-methylethyl)-, benzoate, [1R-(1«alpha»,2«beta»,5«alpha»)]-](/cid/90-415-1/Cyclohexanol-5-methyl-2-1-methylethyl-benzoate-1R-1-alpha-2-beta-5-alpha.png "Cyclohexanol, 5-methyl-2-(1-methylethyl)-, benzoate, [1R-(1«alpha»,2«beta»,5«alpha»)]-")
- InChI
- InChI=1S/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3
- InChI Key
- TTYVYRHNIVBWCB-UHFFFAOYSA-N
- Formula
- C17H24O2
- SMILES
-
CC1CCC(C(C)C)C(OC(=O)c2ccccc2)
C1 - Molecular Weight1
- 260.37
- CAS
- 6284-35-1
- Other Names
-
- Benzoic acid, (-)-menthyl ester
- (-)-menthyl benzoate
- Menthyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.5629 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.304 | Crippen Calculated Property | |
| McVol | 223.210 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| Tboil | 597.69 | K | Relay (1.0) Calculated Property |
| Tc | 816.94 | K | Relay (1.0) Calculated Property |
| Tfus | 281.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.24; 761.01] | J/mol×K | [701.10; 927.69] | 
|
| Cp,gas | 654.24 | J/mol×K | 701.10 | Joback Calculated Property |
| Cp,gas | 675.79 | J/mol×K | 738.87 | Joback Calculated Property |
| Cp,gas | 695.79 | J/mol×K | 776.63 | Joback Calculated Property |
| Cp,gas | 714.28 | J/mol×K | 814.40 | Joback Calculated Property |
| Cp,gas | 731.29 | J/mol×K | 852.16 | Joback Calculated Property |
| Cp,gas | 746.85 | J/mol×K | 889.93 | Joback Calculated Property |
| Cp,gas | 761.01 | J/mol×K | 927.69 | Joback Calculated Property |
| η | [0.0001567; 0.0021464] | Pa×s | [363.83; 701.10] |
|
| η | 0.0021464 | Pa×s | 363.83 | Joback Calculated Property |
| η | 0.0010363 | Pa×s | 420.04 | Joback Calculated Property |
| η | 0.0005942 | Pa×s | 476.25 | Joback Calculated Property |
| η | 0.0003831 | Pa×s | 532.47 | Joback Calculated Property |
| η | 0.0002686 | Pa×s | 588.68 | Joback Calculated Property |
| η | 0.0002004 | Pa×s | 644.89 | Joback Calculated Property |
| η | 0.0001567 | Pa×s | 701.10 | Joback Calculated Property |
| ΔvapH | 69.90 | kJ/mol | 485.00 | NIST |
Similar Compounds
Sources
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