- InChI
- InChI=1S/C14H14ClF3O4/c1-8-3-4-11(10(15)7-8)22-13(20)6-5-12(19)21-9(2)14(16,17)18/h3-4,7,9H,5-6H2,1-2H3
- InChI Key
- GXDCKHCFHBUYTJ-UHFFFAOYSA-N
- Formula
- C14H14ClF3O4
- SMILES
-
Cc1ccc(OC(=O)CCC(=O)OC(C)C(F)(
F)F)c(Cl)c1 - Molecular Weight1
- 338.71
- 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 | 0.7333 | Relay (... Calculated Property | |
| ΔfG° | -903.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1400.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -4.29 | Relay (... Calculated Property | |
| logPoct/wat | 3.828 | Crippen Calculated Property | |
| McVol | 216.790 | ml/mol | McGowan Calculated Property |
| Pc | 1867.55 | kPa | Joback Calculated Property |
| Inp | [1825.00; 1825.00] |
|
|
| Inp | 1825.00 | NIST | |
| Inp | 1825.00 | NIST | |
| Tboil | 557.09 | K | Relay (... Calculated Property |
| Tc | 760.75 | K | Relay (... Calculated Property |
| Tfus | 328.60 | K | Relay (... Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.27; 651.21] | J/mol×K | [740.51; 940.87] |
|
| Cp,gas | 591.27 | J/mol×K | 740.51 | Joback Calculated Property |
| Cp,gas | 603.34 | J/mol×K | 773.90 | Joback Calculated Property |
| Cp,gas | 614.55 | J/mol×K | 807.30 | Joback Calculated Property |
| Cp,gas | 624.92 | J/mol×K | 840.69 | Joback Calculated Property |
| Cp,gas | 634.47 | J/mol×K | 874.08 | Joback Calculated Property |
| Cp,gas | 643.22 | J/mol×K | 907.47 | Joback Calculated Property |
| Cp,gas | 651.21 | J/mol×K | 940.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2-chloro-4-methylphenyl ester.
Sources
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