- InChI
- InChI=1S/C16H9BrCl3FO4/c17-10-7-9(21)1-2-13(10)24-14(22)3-4-15(23)25-16-11(19)5-8(18)6-12(16)20/h1-2,5-7H,3-4H2
- InChI Key
- MNKBBVQYDMBBPE-UHFFFAOYSA-N
- Formula
- C16H9BrCl3FO4
- SMILES
-
O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
)Oc1ccc(F)cc1Br - Molecular Weight1
- 470.50
- 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 | 0.8708 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.840 | Crippen Calculated Property | |
| McVol | 259.650 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [2882.00; 2882.00] |
|
|
| Inp | 2882.00 | NIST | |
| Inp | 2882.00 | NIST | |
| Tboil | 642.38 | K | Relay (1.0) Calculated Property |
| Tc | 948.90 | K | Relay (1.0) Calculated Property |
| Tfus | 369.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.917 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.05; 669.14] | J/mol×K | [974.04; 1221.01] |
|
| Cp,gas | 644.05 | J/mol×K | 974.04 | Joback Calculated Property |
| Cp,gas | 650.94 | J/mol×K | 1015.20 | Joback Calculated Property |
| Cp,gas | 656.72 | J/mol×K | 1056.36 | Joback Calculated Property |
| Cp,gas | 661.41 | J/mol×K | 1097.52 | Joback Calculated Property |
| Cp,gas | 665.03 | J/mol×K | 1138.69 | Joback Calculated Property |
| Cp,gas | 667.60 | J/mol×K | 1179.85 | Joback Calculated Property |
| Cp,gas | 669.14 | J/mol×K | 1221.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2-bromo-4-fluorophenyl ester.
Sources
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