- InChI
- InChI=1S/C13H14ClFO4/c14-10-3-1-4-11(9-10)19-13(17)6-2-5-12(16)18-8-7-15/h1,3-4,9H,2,5-8H2
- InChI Key
- YQMPZFVLQIDNCC-UHFFFAOYSA-N
- Formula
- C13H14ClFO4
- SMILES
- O=C(CCCC(=O)Oc1cccc(Cl)c1)OCCF
- Molecular Weight1
- 288.70
- 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° | -513.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -788.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.35 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 199.160 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | [1987.00; 1987.00] |
|
|
| Inp | 1987.00 | NIST | |
| Inp | 1987.00 | NIST | |
| Tboil | 717.78 | K | Joback Calculated Property |
| Tc | 921.86 | K | Joback Calculated Property |
| Tfus | 450.04 | K | Joback Calculated Property |
| Vc | 0.770 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.97; 582.74] | J/mol×K | [717.78; 921.86] |
|
| Cp,gas | 520.97 | J/mol×K | 717.78 | Joback Calculated Property |
| Cp,gas | 533.29 | J/mol×K | 751.79 | Joback Calculated Property |
| Cp,gas | 544.79 | J/mol×K | 785.81 | Joback Calculated Property |
| Cp,gas | 555.48 | J/mol×K | 819.82 | Joback Calculated Property |
| Cp,gas | 565.36 | J/mol×K | 853.83 | Joback Calculated Property |
| Cp,gas | 574.45 | J/mol×K | 887.84 | Joback Calculated Property |
| Cp,gas | 582.74 | J/mol×K | 921.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl 2-fluoroethyl ester.
Sources
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