- InChI
- InChI=1S/C23H25F3O4/c1-2-3-4-5-6-7-8-15-29-22(27)16-9-11-17(12-10-16)23(28)30-19-14-13-18(24)20(25)21(19)26/h9-14H,2-8,15H2,1H3
- InChI Key
- ICQDPYXRTJQUBM-UHFFFAOYSA-N
- Formula
- C23H25F3O4
- SMILES
-
CCCCCCCCCOC(=O)c1ccc(C(=O)Oc2c
cc(F)c(F)c2F)cc1 - Molecular Weight1
- 422.44
- 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° | -723.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1168.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.85 | kJ/mol | Joback Calculated Property |
| log10WS | -8.14 | Crippen Calculated Property | |
| logPoct/wat | 6.230 | Crippen Calculated Property | |
| McVol | 307.600 | ml/mol | McGowan Calculated Property |
| Pc | 1216.59 | kPa | Joback Calculated Property |
| Inp | [2300.00; 2300.00] |
|
|
| Inp | 2300.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Tboil | 949.31 | K | Joback Calculated Property |
| Tc | 1164.42 | K | Joback Calculated Property |
| Tfus | 597.98 | K | Joback Calculated Property |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [974.81; 1034.46] | J/mol×K | [949.31; 1164.42] |
|
| Cp,gas | 974.81 | J/mol×K | 949.31 | Joback Calculated Property |
| Cp,gas | 987.92 | J/mol×K | 985.16 | Joback Calculated Property |
| Cp,gas | 999.72 | J/mol×K | 1021.01 | Joback Calculated Property |
| Cp,gas | 1010.24 | J/mol×K | 1056.87 | Joback Calculated Property |
| Cp,gas | 1019.52 | J/mol×K | 1092.72 | Joback Calculated Property |
| Cp,gas | 1027.58 | J/mol×K | 1128.57 | Joback Calculated Property |
| Cp,gas | 1034.46 | J/mol×K | 1164.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, nonyl 2,3,4-trifluorophenyl ester.
Sources
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