- InChI
- InChI=1S/C26H35F5O4/c1-2-3-4-5-6-7-8-9-12-15-34-25(32)17-13-10-11-14-18(17)26(33)35-16-19-20(27)22(29)24(31)23(30)21(19)28/h17-18H,2-16H2,1H3
- InChI Key
- HWABLODAZPOMNB-UHFFFAOYSA-N
- Formula
- C26H35F5O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)
OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 506.55
- ω : Acentric Factor.
- 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).
- 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 | 1.1007 | Relay (1.0) Calculated Property | |
| ΔfG° | -1192.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1679.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.306 | Crippen Calculated Property | |
| McVol | 366.310 | ml/mol | McGowan Calculated Property |
| Pc | 855.46 | kPa | Joback Calculated Property |
| Tboil | 681.29 | K | Relay (1.0) Calculated Property |
| Tc | 885.33 | K | Relay (1.0) Calculated Property |
| Tfus | 340.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.355 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1273.31; 1336.70] | J/mol×K | [1009.67; 1240.68] | 
|
| Cp,gas | 1273.31 | J/mol×K | 1009.67 | Joback Calculated Property |
| Cp,gas | 1288.82 | J/mol×K | 1048.17 | Joback Calculated Property |
| Cp,gas | 1302.32 | J/mol×K | 1086.67 | Joback Calculated Property |
| Cp,gas | 1313.83 | J/mol×K | 1125.18 | Joback Calculated Property |
| Cp,gas | 1323.38 | J/mol×K | 1163.68 | Joback Calculated Property |
| Cp,gas | 1330.99 | J/mol×K | 1202.18 | Joback Calculated Property |
| Cp,gas | 1336.70 | J/mol×K | 1240.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, pentafluorobenzyl undecyl ester.
Sources
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