- InChI
- InChI=1S/C12H11BrClFO4/c13-9-7-8(15)1-2-10(9)19-12(17)4-3-11(16)18-6-5-14/h1-2,7H,3-6H2
- InChI Key
- IFWQYAGKTGLKTB-UHFFFAOYSA-N
- Formula
- C12H11BrClFO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)OCCC
l - Molecular Weight1
- 353.57
- 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° | -516.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.056 | Crippen Calculated Property | |
| McVol | 202.570 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | 2158.00 | NIST | |
| Tboil | 766.04 | K | Joback Calculated Property |
| Tc | 983.59 | K | Joback Calculated Property |
| Tfus | 511.09 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.67; 550.64] | J/mol×K | [766.04; 983.59] | 
|
| Cp,gas | 500.67 | J/mol×K | 766.04 | Joback Calculated Property |
| Cp,gas | 510.99 | J/mol×K | 802.30 | Joback Calculated Property |
| Cp,gas | 520.50 | J/mol×K | 838.56 | Joback Calculated Property |
| Cp,gas | 529.21 | J/mol×K | 874.82 | Joback Calculated Property |
| Cp,gas | 537.13 | J/mol×K | 911.07 | Joback Calculated Property |
| Cp,gas | 544.27 | J/mol×K | 947.33 | Joback Calculated Property |
| Cp,gas | 550.64 | J/mol×K | 983.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl 2-chloroethyl ester.
Sources
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