- InChI
- InChI=1S/C20H21FO4/c21-17-11-4-5-12-18(17)25-20(23)14-6-13-19(22)24-15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2
- InChI Key
- IKEYUFXQILWJQE-UHFFFAOYSA-N
- Formula
- C20H21FO4
- SMILES
-
O=C(CCCC(=O)Oc1ccccc1F)OCCCc1c
cccc1 - Molecular Weight1
- 344.38
- 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° | -329.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -680.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.82 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 4.077 | Crippen Calculated Property | |
| McVol | 261.790 | ml/mol | McGowan Calculated Property |
| Pc | 1674.16 | kPa | Joback Calculated Property |
| Inp | [2616.00; 2616.00] |
|
|
| Inp | 2616.00 | NIST | |
| Inp | 2616.00 | NIST | |
| Tboil | 867.19 | K | Joback Calculated Property |
| Tc | 1084.72 | K | Joback Calculated Property |
| Tfus | 525.43 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.82; 853.52] | J/mol×K | [867.19; 1084.72] |
|
| Cp,gas | 788.82 | J/mol×K | 867.19 | Joback Calculated Property |
| Cp,gas | 802.52 | J/mol×K | 903.44 | Joback Calculated Property |
| Cp,gas | 815.00 | J/mol×K | 939.70 | Joback Calculated Property |
| Cp,gas | 826.30 | J/mol×K | 975.95 | Joback Calculated Property |
| Cp,gas | 836.46 | J/mol×K | 1012.21 | Joback Calculated Property |
| Cp,gas | 845.52 | J/mol×K | 1048.46 | Joback Calculated Property |
| Cp,gas | 853.52 | J/mol×K | 1084.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-fluorophenyl 3-phenylpropyl ester.
Sources
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