- InChI
- InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-8-9-16-28-20(26)14-15-21(27)29-17-18-10-12-19(13-11-18)22(23,24)25/h10-13H,2-9,14-17H2,1H3
- InChI Key
- ABSDHEKPULUSEK-UHFFFAOYSA-N
- Formula
- C22H31F3O4
- SMILES
-
CCCCCCCCCCOC(=O)CCC(=O)OCc1ccc
(C(F)(F)F)cc1 - Molecular Weight1
- 416.47
- 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° | -812.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1359.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.07 | kJ/mol | Joback Calculated Property |
| log10WS | -7.04 | Crippen Calculated Property | |
| logPoct/wat | 6.213 | Crippen Calculated Property | |
| McVol | 317.270 | ml/mol | McGowan Calculated Property |
| Pc | 1083.49 | kPa | Joback Calculated Property |
| Inp | [2505.00; 2505.00] |
|
|
| Inp | 2505.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Tboil | 881.58 | K | Joback Calculated Property |
| Tc | 1080.54 | K | Joback Calculated Property |
| Tfus | 525.15 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1019.44; 1097.67] | J/mol×K | [881.58; 1080.54] |
|
| Cp,gas | 1019.44 | J/mol×K | 881.58 | Joback Calculated Property |
| Cp,gas | 1035.16 | J/mol×K | 914.74 | Joback Calculated Property |
| Cp,gas | 1049.75 | J/mol×K | 947.90 | Joback Calculated Property |
| Cp,gas | 1063.24 | J/mol×K | 981.06 | Joback Calculated Property |
| Cp,gas | 1075.70 | J/mol×K | 1014.22 | Joback Calculated Property |
| Cp,gas | 1087.16 | J/mol×K | 1047.38 | Joback Calculated Property |
| Cp,gas | 1097.67 | J/mol×K | 1080.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, decyl 4-trifluoromethylbenzyl ester.
Sources
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