- InChI
- InChI=1S/C24H20ClFO5/c25-20-11-5-12-21(26)24(20)31-23(28)14-6-13-22(27)29-16-17-7-4-10-19(15-17)30-18-8-2-1-3-9-18/h1-5,7-12,15H,6,13-14,16H2
- InChI Key
- AOBACTVYBIUNRT-UHFFFAOYSA-N
- Formula
- C24H20ClFO5
- SMILES
-
O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCc
1cccc(Oc2ccccc2)c1 - Molecular Weight1
- 442.86
- 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).
- 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° | -320.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.12 | kJ/mol | Joback Calculated Property |
| log10WS | -7.08 | Crippen Calculated Property | |
| logPoct/wat | 6.090 | Crippen Calculated Property | |
| McVol | 312.500 | ml/mol | McGowan Calculated Property |
| Pc | 1501.15 | kPa | Joback Calculated Property |
| Tboil | 1055.20 | K | Joback Calculated Property |
| Tc | 1300.75 | K | Joback Calculated Property |
| Tfus | 674.12 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.88; 983.77] | J/mol×K | [1055.20; 1300.75] | 
|
| Cp,gas | 955.88 | J/mol×K | 1055.20 | Joback Calculated Property |
| Cp,gas | 964.44 | J/mol×K | 1096.12 | Joback Calculated Property |
| Cp,gas | 971.37 | J/mol×K | 1137.05 | Joback Calculated Property |
| Cp,gas | 976.73 | J/mol×K | 1177.97 | Joback Calculated Property |
| Cp,gas | 980.55 | J/mol×K | 1218.90 | Joback Calculated Property |
| Cp,gas | 982.88 | J/mol×K | 1259.82 | Joback Calculated Property |
| Cp,gas | 983.77 | J/mol×K | 1300.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-phenoxybenzyl ester.
Sources
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