- InChI
- InChI=1S/C21H16BrFO4/c22-18-12-17(23)7-8-19(18)27-21(25)10-9-20(24)26-13-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11-12H,9-10,13H2
- InChI Key
- VQAZQCUJTDLJDX-UHFFFAOYSA-N
- Formula
- C21H16BrFO4
- SMILES
-
O=C(CCC(=O)Oc1ccc(F)cc1Br)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 431.25
- 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° | -219.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.31 | Crippen Calculated Property | |
| logPoct/wat | 5.170 | Crippen Calculated Property | |
| McVol | 273.920 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | 3193.00 | NIST | |
| Tboil | 985.17 | K | Joback Calculated Property |
| Tc | 1229.26 | K | Joback Calculated Property |
| Tfus | 654.24 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.02; 842.40] | J/mol×K | [985.17; 1229.26] | 
|
| Cp,gas | 793.02 | J/mol×K | 985.17 | Joback Calculated Property |
| Cp,gas | 803.49 | J/mol×K | 1025.85 | Joback Calculated Property |
| Cp,gas | 812.95 | J/mol×K | 1066.53 | Joback Calculated Property |
| Cp,gas | 821.49 | J/mol×K | 1107.22 | Joback Calculated Property |
| Cp,gas | 829.19 | J/mol×K | 1147.90 | Joback Calculated Property |
| Cp,gas | 836.13 | J/mol×K | 1188.58 | Joback Calculated Property |
| Cp,gas | 842.40 | J/mol×K | 1229.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, naphth-2-ylmethyl 2-bromo-4-fluorophenyl ester.
Sources
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