- InChI
- InChI=1S/C22H18BrFO4/c23-19-13-18(24)10-11-20(19)28-22(26)7-3-6-21(25)27-14-15-8-9-16-4-1-2-5-17(16)12-15/h1-2,4-5,8-13H,3,6-7,14H2
- InChI Key
- VREBDOONCRGWGH-UHFFFAOYSA-N
- Formula
- C22H18BrFO4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(F)cc1Br)OCc
1ccc2ccccc2c1 - Molecular Weight1
- 445.28
- 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° | -211.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.67 | kJ/mol | Joback Calculated Property |
| log10WS | -7.73 | Crippen Calculated Property | |
| logPoct/wat | 5.561 | Crippen Calculated Property | |
| McVol | 288.010 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | 3291.00 | NIST | |
| Tboil | 1008.05 | K | Joback Calculated Property |
| Tc | 1251.05 | K | Joback Calculated Property |
| Tfus | 665.51 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.81; 901.61] | J/mol×K | [1008.05; 1251.05] | 
|
| Cp,gas | 850.81 | J/mol×K | 1008.05 | Joback Calculated Property |
| Cp,gas | 861.50 | J/mol×K | 1048.55 | Joback Calculated Property |
| Cp,gas | 871.19 | J/mol×K | 1089.05 | Joback Calculated Property |
| Cp,gas | 879.96 | J/mol×K | 1129.55 | Joback Calculated Property |
| Cp,gas | 887.89 | J/mol×K | 1170.05 | Joback Calculated Property |
| Cp,gas | 895.08 | J/mol×K | 1210.55 | Joback Calculated Property |
| Cp,gas | 901.61 | J/mol×K | 1251.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2-bromo-4-fluorophenyl ester.
Sources
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