- InChI
- InChI=1S/C25H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-31-23(29)17-18-24(30)32-20-21-15-12-13-16-22(21)25(26,27)28/h12-13,15-16H,2-11,14,17-20H2,1H3
- InChI Key
- TUKGVCWGEBTHAV-UHFFFAOYSA-N
- Formula
- C25H37F3O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCC(=O)OCc1
ccccc1C(F)(F)F - Molecular Weight1
- 458.55
- 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° | -787.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1420.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.75 | kJ/mol | Joback Calculated Property |
| log10WS | -8.30 | Crippen Calculated Property | |
| logPoct/wat | 7.383 | Crippen Calculated Property | |
| McVol | 359.540 | ml/mol | McGowan Calculated Property |
| Pc | 903.97 | kPa | Joback Calculated Property |
| Inp | [2819.00; 2819.00] |
|
|
| Inp | 2819.00 | NIST | |
| Inp | 2819.00 | NIST | |
| Tboil | 950.22 | K | Joback Calculated Property |
| Tc | 1164.31 | K | Joback Calculated Property |
| Tfus | 558.96 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1202.08; 1284.51] | J/mol×K | [950.22; 1164.31] |
|
| Cp,gas | 1202.08 | J/mol×K | 950.22 | Joback Calculated Property |
| Cp,gas | 1218.96 | J/mol×K | 985.90 | Joback Calculated Property |
| Cp,gas | 1234.49 | J/mol×K | 1021.58 | Joback Calculated Property |
| Cp,gas | 1248.74 | J/mol×K | 1057.26 | Joback Calculated Property |
| Cp,gas | 1261.79 | J/mol×K | 1092.94 | Joback Calculated Property |
| Cp,gas | 1273.68 | J/mol×K | 1128.63 | Joback Calculated Property |
| Cp,gas | 1284.51 | J/mol×K | 1164.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, tridecyl 2-(trifluoromethyl)benzyl ester.
Sources
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