- InChI
- InChI=1S/C12H11ClF2O4/c13-8-2-1-3-9(15)12(8)19-11(17)5-4-10(16)18-7-6-14/h1-3H,4-7H2
- InChI Key
- BMSCQCSFYNMALN-UHFFFAOYSA-N
- Formula
- C12H11ClF2O4
- SMILES
- O=C(CCC(=O)Oc1c(F)cccc1Cl)OCCF
- Molecular Weight1
- 292.66
- 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° | -726.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -974.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 2.677 | Crippen Calculated Property | |
| McVol | 186.840 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Inp | 1915.00 | NIST | |
| Tboil | 699.15 | K | Joback Calculated Property |
| Tc | 898.70 | K | Joback Calculated Property |
| Tfus | 451.88 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.08; 532.42] | J/mol×K | [699.15; 898.70] | 
|
| Cp,gas | 476.08 | J/mol×K | 699.15 | Joback Calculated Property |
| Cp,gas | 487.24 | J/mol×K | 732.41 | Joback Calculated Property |
| Cp,gas | 497.69 | J/mol×K | 765.67 | Joback Calculated Property |
| Cp,gas | 507.44 | J/mol×K | 798.92 | Joback Calculated Property |
| Cp,gas | 516.48 | J/mol×K | 832.18 | Joback Calculated Property |
| Cp,gas | 524.80 | J/mol×K | 865.44 | Joback Calculated Property |
| Cp,gas | 532.42 | J/mol×K | 898.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester.
Sources
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