- InChI
- InChI=1S/C27H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-15-35-26(33)18-13-12-14-19(16-18)27(34)36-17-20-21(28)23(30)25(32)24(31)22(20)29/h12-14,16H,2-11,15,17H2,1H3
- InChI Key
- IAPMZCROTUITGB-UHFFFAOYSA-N
- Formula
- C27H31F5O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OCc2c(F)c(F)c(F)c(F)c2F)c1 - Molecular Weight1
- 514.52
- 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° | -1098.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1666.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.45 | kJ/mol | Joback Calculated Property |
| log10WS | -10.33 | Crippen Calculated Property | |
| logPoct/wat | 7.817 | Crippen Calculated Property | |
| McVol | 367.500 | ml/mol | McGowan Calculated Property |
| Pc | 880.00 | kPa | Joback Calculated Property |
| Inp | 3210.00 | NIST | |
| Tboil | 1049.33 | K | Joback Calculated Property |
| Tc | 1292.58 | K | Joback Calculated Property |
| Tfus | 669.28 | K | Joback Calculated Property |
| Vc | 1.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1226.24; 1279.83] | J/mol×K | [1049.33; 1292.58] | 
|
| Cp,gas | 1226.24 | J/mol×K | 1049.33 | Joback Calculated Property |
| Cp,gas | 1239.64 | J/mol×K | 1089.87 | Joback Calculated Property |
| Cp,gas | 1251.19 | J/mol×K | 1130.41 | Joback Calculated Property |
| Cp,gas | 1260.94 | J/mol×K | 1170.96 | Joback Calculated Property |
| Cp,gas | 1268.93 | J/mol×K | 1211.50 | Joback Calculated Property |
| Cp,gas | 1275.22 | J/mol×K | 1252.04 | Joback Calculated Property |
| Cp,gas | 1279.83 | J/mol×K | 1292.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl pentafluorobenzyl ester.
Sources
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