- InChI
- InChI=1S/C13H15FO4/c1-2-17-12(15)7-4-8-13(16)18-11-6-3-5-10(14)9-11/h3,5-6,9H,2,4,7-8H2,1H3
- InChI Key
- LHXKZPNXQXNEMH-UHFFFAOYSA-N
- Formula
- C13H15FO4
- SMILES
- CCOC(=O)CCCC(=O)Oc1cccc(F)c1
- Molecular Weight1
- 254.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7215 | Relay (1.0) Calculated Property | |
| ΔfG° | -501.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -914.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.464 | Crippen Calculated Property | |
| McVol | 186.920 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Inp | [1782.00; 1782.00] |
|
|
| Inp | 1782.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Tboil | 569.07 | K | Relay (1.0) Calculated Property |
| Tc | 760.27 | K | Relay (1.0) Calculated Property |
| Tfus | 288.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.55; 563.45] | J/mol×K | [680.35; 880.81] |
|
| Cp,gas | 495.55 | J/mol×K | 680.35 | Joback Calculated Property |
| Cp,gas | 508.85 | J/mol×K | 713.76 | Joback Calculated Property |
| Cp,gas | 521.34 | J/mol×K | 747.17 | Joback Calculated Property |
| Cp,gas | 533.05 | J/mol×K | 780.58 | Joback Calculated Property |
| Cp,gas | 543.96 | J/mol×K | 813.99 | Joback Calculated Property |
| Cp,gas | 554.09 | J/mol×K | 847.40 | Joback Calculated Property |
| Cp,gas | 563.45 | J/mol×K | 880.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 3-fluorophenyl ester.
Sources
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