- InChI
- InChI=1S/C20H16F6O6/c21-19(22,23)31-15-5-1-13(2-6-15)11-29-17(27)9-10-18(28)30-12-14-3-7-16(8-4-14)32-20(24,25)26/h1-8H,9-12H2
- InChI Key
- ORJUIAPHKVLTSL-UHFFFAOYSA-N
- Formula
- C20H16F6O6
- SMILES
-
O=C(CCC(=O)OCc1ccc(OC(F)(F)F)c
c1)OCc1ccc(OC(F)(F)F)cc1 - Molecular Weight1
- 466.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9882 | Relay (... Calculated Property | |
| ΔfG° | -1517.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2164.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -6.38 | Relay (... Calculated Property | |
| logPoct/wat | 5.051 | Crippen Calculated Property | |
| McVol | 282.380 | ml/mol | McGowan Calculated Property |
| Pc | 1392.29 | kPa | Joback Calculated Property |
| Inp | [2284.00; 2284.00] |
|
|
| Inp | 2284.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 649.91 | K | Relay (... Calculated Property |
| Tc | 828.92 | K | Relay (... Calculated Property |
| Tfus | 332.67 | K | Relay (... Calculated Property |
| Vc | 1.061 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.16; 927.24] | J/mol×K | [906.90; 1115.36] |
|
| Cp,gas | 879.16 | J/mol×K | 906.90 | Joback Calculated Property |
| Cp,gas | 889.92 | J/mol×K | 941.64 | Joback Calculated Property |
| Cp,gas | 899.52 | J/mol×K | 976.39 | Joback Calculated Property |
| Cp,gas | 908.02 | J/mol×K | 1011.13 | Joback Calculated Property |
| Cp,gas | 915.44 | J/mol×K | 1045.88 | Joback Calculated Property |
| Cp,gas | 921.83 | J/mol×K | 1080.62 | Joback Calculated Property |
| Cp,gas | 927.24 | J/mol×K | 1115.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(4-trifluoromethoxybenzyl) ester.
Sources
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