- InChI
- InChI=1S/C19H21F5O4/c1-11-8-12(10-17(2,3)9-11)27-15(25)13-6-4-5-7-14(13)28-16(26)18(20,21)19(22,23)24/h4-7,11-12H,8-10H2,1-3H3
- InChI Key
- ODDCCKALFXEQNJ-UHFFFAOYSA-N
- Formula
- C19H21F5O4
- SMILES
-
CC1CC(OC(=O)c2ccccc2OC(=O)C(F)
(F)C(F)(F)F)CC(C)(C)C1 - Molecular Weight1
- 408.36
- Other Names
-
- Benzoic acid, 2-pentafluoropropionyloxy-, 3,3,5-trimethylcyclohexyl ester
- Heliophan pentafluoropropionate
- 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° | -1220.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1669.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.29 | Crippen Calculated Property | |
| logPoct/wat | 5.161 | Crippen Calculated Property | |
| McVol | 267.680 | ml/mol | McGowan Calculated Property |
| Pc | 1438.07 | kPa | Joback Calculated Property |
| Inp | [1835.00; 1835.00] |
|
|
| Inp | 1835.00 | NIST | |
| Inp | 1835.00 | NIST | |
| Tboil | 818.70 | K | Joback Calculated Property |
| Tc | 1027.58 | K | Joback Calculated Property |
| Tfus | 517.74 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [856.72; 948.17] | J/mol×K | [818.70; 1027.58] |
|
| Cp,gas | 856.72 | J/mol×K | 818.70 | Joback Calculated Property |
| Cp,gas | 873.56 | J/mol×K | 853.51 | Joback Calculated Property |
| Cp,gas | 889.59 | J/mol×K | 888.33 | Joback Calculated Property |
| Cp,gas | 904.93 | J/mol×K | 923.14 | Joback Calculated Property |
| Cp,gas | 919.73 | J/mol×K | 957.95 | Joback Calculated Property |
| Cp,gas | 934.10 | J/mol×K | 992.77 | Joback Calculated Property |
| Cp,gas | 948.17 | J/mol×K | 1027.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,5-Trimethylcyclohexyl 2-(pentafluoropropionyloxy)benzoate.
Sources
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