- InChI
- InChI=1S/C18H24O4/c1-12-9-14(11-18(3,4)10-12)22-17(20)15-7-5-6-8-16(15)21-13(2)19/h5-8,12,14H,9-11H2,1-4H3
- InChI Key
- IBNMWGITXDVFJP-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
CC(=O)Oc1ccccc1C(=O)OC1CC(C)CC
(C)(C)C1 - Molecular Weight1
- 304.38
- Other Names
-
- Benzoic acid, 2-acetyloxy-, 3,3,5-trimethylcyclohexyl ester
- Heliophan acetate
- 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).
- 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° | -260.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.983 | Crippen Calculated Property | |
| McVol | 244.740 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | 2047.00 | NIST | |
| Tboil | 805.93 | K | Joback Calculated Property |
| Tc | 1035.64 | K | Joback Calculated Property |
| Tfus | 498.68 | K | Joback Calculated Property |
| Vc | 0.912 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.45; 861.54] | J/mol×K | [805.93; 1035.64] | 
|
| Cp,gas | 758.45 | J/mol×K | 805.93 | Joback Calculated Property |
| Cp,gas | 777.72 | J/mol×K | 844.22 | Joback Calculated Property |
| Cp,gas | 796.00 | J/mol×K | 882.50 | Joback Calculated Property |
| Cp,gas | 813.42 | J/mol×K | 920.79 | Joback Calculated Property |
| Cp,gas | 830.07 | J/mol×K | 959.07 | Joback Calculated Property |
| Cp,gas | 846.08 | J/mol×K | 997.36 | Joback Calculated Property |
| Cp,gas | 861.54 | J/mol×K | 1035.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,5-Trimethylcyclohexyl 2-acetoxybenzoate.
Sources
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