- InChI
- InChI=1S/C22H16BrFO4/c23-18-14-16(24)10-11-20(18)28-22(26)13-12-21(25)27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-11,14H,12-13H2
- InChI Key
- YFXDANIOBZWOBA-UHFFFAOYSA-N
- Formula
- C22H16BrFO4
- SMILES
-
O=C(CCC(=O)Oc1ccccc1-c1ccccc1)
Oc1ccc(F)cc1Br - Molecular Weight1
- 443.26
- 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 | 0.8571 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.546 | Crippen Calculated Property | |
| McVol | 283.710 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | [3038.00; 3038.00] |
|
|
| Inp | 3038.00 | NIST | |
| Inp | 3038.00 | NIST | |
| Tboil | 714.64 | K | Relay (1.0) Calculated Property |
| Tc | 1010.29 | K | Relay (1.0) Calculated Property |
| Tfus | 367.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.011 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [824.68; 862.69] | J/mol×K | [1015.75; 1268.41] |
|
| Cp,gas | 824.68 | J/mol×K | 1015.75 | Joback Calculated Property |
| Cp,gas | 834.07 | J/mol×K | 1057.86 | Joback Calculated Property |
| Cp,gas | 842.14 | J/mol×K | 1099.97 | Joback Calculated Property |
| Cp,gas | 848.96 | J/mol×K | 1142.08 | Joback Calculated Property |
| Cp,gas | 854.61 | J/mol×K | 1184.19 | Joback Calculated Property |
| Cp,gas | 859.16 | J/mol×K | 1226.30 | Joback Calculated Property |
| Cp,gas | 862.69 | J/mol×K | 1268.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl 2-biphenyl ester.
Sources
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