- InChI
- InChI=1S/C12H9Cl2F3O4/c13-8(14)5-20-9(18)3-4-10(19)21-7-2-1-6(15)11(16)12(7)17/h1-2,8H,3-5H2
- InChI Key
- JHCRWTPPMWTGNJ-UHFFFAOYSA-N
- Formula
- C12H9Cl2F3O4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)c(F)c1F)OC
C(Cl)Cl - Molecular Weight1
- 345.10
- 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 | 0.7590 | Relay (1.0) Calculated Property | |
| ΔfG° | -944.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1192.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.136 | Crippen Calculated Property | |
| McVol | 200.850 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | 1967.00 | NIST | |
| Tboil | 571.42 | K | Relay (1.0) Calculated Property |
| Tc | 782.00 | K | Relay (1.0) Calculated Property |
| Tfus | 327.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.94; 554.60] | J/mol×K | [740.39; 940.47] | 
|
| Cp,gas | 505.94 | J/mol×K | 740.39 | Joback Calculated Property |
| Cp,gas | 515.83 | J/mol×K | 773.74 | Joback Calculated Property |
| Cp,gas | 525.01 | J/mol×K | 807.08 | Joback Calculated Property |
| Cp,gas | 533.48 | J/mol×K | 840.43 | Joback Calculated Property |
| Cp,gas | 541.24 | J/mol×K | 873.78 | Joback Calculated Property |
| Cp,gas | 548.28 | J/mol×K | 907.12 | Joback Calculated Property |
| Cp,gas | 554.60 | J/mol×K | 940.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 2,3,4-trifluorophenyl ester.
Sources
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