- InChI
- InChI=1S/C16H11BrClFO4/c17-13-9-11(19)4-5-14(13)23-16(21)7-6-15(20)22-12-3-1-2-10(18)8-12/h1-5,8-9H,6-7H2
- InChI Key
- LCZZWYZYMALDLA-UHFFFAOYSA-N
- Formula
- C16H11BrClFO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)Oc1c
ccc(Cl)c1 - Molecular Weight1
- 401.61
- 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° | -380.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 4.533 | Crippen Calculated Property | |
| McVol | 235.170 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [2585.00; 2585.00] |
|
|
| Inp | 2585.00 | NIST | |
| Inp | 2585.00 | NIST | |
| Tboil | 889.22 | K | Joback Calculated Property |
| Tc | 1129.22 | K | Joback Calculated Property |
| Tfus | 595.11 | K | Joback Calculated Property |
| Vc | 0.892 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.21; 655.78] | J/mol×K | [889.22; 1129.22] |
|
| Cp,gas | 614.21 | J/mol×K | 889.22 | Joback Calculated Property |
| Cp,gas | 623.79 | J/mol×K | 929.22 | Joback Calculated Property |
| Cp,gas | 632.27 | J/mol×K | 969.22 | Joback Calculated Property |
| Cp,gas | 639.68 | J/mol×K | 1009.22 | Joback Calculated Property |
| Cp,gas | 646.04 | J/mol×K | 1049.22 | Joback Calculated Property |
| Cp,gas | 651.40 | J/mol×K | 1089.22 | Joback Calculated Property |
| Cp,gas | 655.78 | J/mol×K | 1129.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-chlorophenyl 2-bromo-4-fluorophenyl ester.
Sources
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