- InChI
- InChI=1S/C24H25F5O4/c1-3-4-5-6-7-8-13-32-23(30)15-9-11-16(12-10-15)24(31)33-14(2)17-18(25)20(27)22(29)21(28)19(17)26/h9-12,14H,3-8,13H2,1-2H3
- InChI Key
- GEFJOOGVFAZFQY-UHFFFAOYSA-N
- Formula
- C24H25F5O4
- SMILES
-
CCCCCCCCOC(=O)c1ccc(C(=O)OC(C)
c2c(F)c(F)c(F)c(F)c2F)cc1 - Molecular Weight1
- 472.44
- 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° | -1126.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1609.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.38 | kJ/mol | Joback Calculated Property |
| log10WS | -9.04 | Crippen Calculated Property | |
| logPoct/wat | 6.817 | Crippen Calculated Property | |
| McVol | 325.230 | ml/mol | McGowan Calculated Property |
| Pc | 1057.57 | kPa | Joback Calculated Property |
| Inp | [2854.00; 2854.00] |
|
|
| Inp | 2854.00 | NIST | |
| Inp | 2854.00 | NIST | |
| Tboil | 980.25 | K | Joback Calculated Property |
| Tc | 1200.17 | K | Joback Calculated Property |
| Tfus | 620.47 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1046.15; 1100.86] | J/mol×K | [980.25; 1200.17] |
|
| Cp,gas | 1046.15 | J/mol×K | 980.25 | Joback Calculated Property |
| Cp,gas | 1058.80 | J/mol×K | 1016.90 | Joback Calculated Property |
| Cp,gas | 1070.00 | J/mol×K | 1053.56 | Joback Calculated Property |
| Cp,gas | 1079.79 | J/mol×K | 1090.21 | Joback Calculated Property |
| Cp,gas | 1088.18 | J/mol×K | 1126.86 | Joback Calculated Property |
| Cp,gas | 1095.20 | J/mol×K | 1163.51 | Joback Calculated Property |
| Cp,gas | 1100.86 | J/mol×K | 1200.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, octyl 1-(pentafluorophenyl)ethyl ester.
Sources
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