- InChI
- InChI=1S/C30H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-38-29(36)21-17-14-15-18-22(21)30(37)39-20-23-24(31)26(33)28(35)27(34)25(23)32/h21-22H,2-20H2,1H3
- InChI Key
- CUZCJQVRFTZJRG-UHFFFAOYSA-N
- Formula
- C30H43F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C
(=O)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 562.65
- 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).
- 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° | -1159.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1919.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 79.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.31 | kJ/mol | Joback Calculated Property |
| log10WS | -10.77 | Crippen Calculated Property | |
| logPoct/wat | 8.866 | Crippen Calculated Property | |
| McVol | 422.670 | ml/mol | McGowan Calculated Property |
| Pc | 691.43 | kPa | Joback Calculated Property |
| Tboil | 1101.19 | K | Joback Calculated Property |
| Tc | 1376.83 | K | Joback Calculated Property |
| Tfus | 667.29 | K | Joback Calculated Property |
| Vc | 1.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1521.41; 1573.30] | J/mol×K | [1101.19; 1376.83] | 
|
| Cp,gas | 1521.41 | J/mol×K | 1101.19 | Joback Calculated Property |
| Cp,gas | 1537.30 | J/mol×K | 1147.13 | Joback Calculated Property |
| Cp,gas | 1550.20 | J/mol×K | 1193.07 | Joback Calculated Property |
| Cp,gas | 1560.17 | J/mol×K | 1239.01 | Joback Calculated Property |
| Cp,gas | 1567.30 | J/mol×K | 1284.95 | Joback Calculated Property |
| Cp,gas | 1571.65 | J/mol×K | 1330.89 | Joback Calculated Property |
| Cp,gas | 1573.30 | J/mol×K | 1376.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, pentadecyl pentafluorobenzyl ester.
Sources
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