- InChI
- InChI=1S/C13H12BrCl2FO4/c14-9-6-8(17)4-5-10(9)21-13(19)3-1-2-12(18)20-7-11(15)16/h4-6,11H,1-3,7H2
- InChI Key
- XAWSXUUBKFACPK-UHFFFAOYSA-N
- Formula
- C13H12BrCl2FO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(F)cc1Br)OCC
(Cl)Cl - Molecular Weight1
- 402.04
- 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 | 0.8039 | Relay (1.0) Calculated Property | |
| ΔfG° | -522.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.011 | Crippen Calculated Property | |
| McVol | 228.900 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | [2336.00; 2336.00] |
|
|
| Inp | 2336.00 | NIST | |
| Inp | 2336.00 | NIST | |
| Tboil | 624.24 | K | Relay (1.0) Calculated Property |
| Tc | 849.91 | K | Relay (1.0) Calculated Property |
| Tfus | 331.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.81; 620.95] | J/mol×K | [825.91; 1047.34] |
|
| Cp,gas | 574.81 | J/mol×K | 825.91 | Joback Calculated Property |
| Cp,gas | 584.67 | J/mol×K | 862.81 | Joback Calculated Property |
| Cp,gas | 593.65 | J/mol×K | 899.72 | Joback Calculated Property |
| Cp,gas | 601.75 | J/mol×K | 936.62 | Joback Calculated Property |
| Cp,gas | 608.99 | J/mol×K | 973.53 | Joback Calculated Property |
| Cp,gas | 615.39 | J/mol×K | 1010.43 | Joback Calculated Property |
| Cp,gas | 620.95 | J/mol×K | 1047.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 2-bromo-4-fluorophenyl ester.
Sources
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