- InChI
- InChI=1S/C14H15F3O4/c1-2-20-12(18)7-8-13(19)21-9-10-3-5-11(6-4-10)14(15,16)17/h3-6H,2,7-9H2,1H3
- InChI Key
- IDZKKIQDQGNMFE-UHFFFAOYSA-N
- Formula
- C14H15F3O4
- SMILES
-
CCOC(=O)CCC(=O)OCc1ccc(C(F)(F)
F)cc1 - Molecular Weight1
- 304.26
- 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° | -879.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1193.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.092 | Crippen Calculated Property | |
| McVol | 204.550 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | [1729.00; 1729.00] |
|
|
| Inp | 1729.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Tboil | 698.54 | K | Joback Calculated Property |
| Tc | 891.27 | K | Joback Calculated Property |
| Tfus | 434.99 | K | Joback Calculated Property |
| Vc | 0.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.41; 632.36] | J/mol×K | [698.54; 891.27] |
|
| Cp,gas | 566.41 | J/mol×K | 698.54 | Joback Calculated Property |
| Cp,gas | 579.43 | J/mol×K | 730.66 | Joback Calculated Property |
| Cp,gas | 591.60 | J/mol×K | 762.78 | Joback Calculated Property |
| Cp,gas | 602.96 | J/mol×K | 794.91 | Joback Calculated Property |
| Cp,gas | 613.52 | J/mol×K | 827.03 | Joback Calculated Property |
| Cp,gas | 623.32 | J/mol×K | 859.15 | Joback Calculated Property |
| Cp,gas | 632.36 | J/mol×K | 891.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 4-trifluoromethylbenzyl ester.
Sources
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