- InChI
- InChI=1S/C19H19FO4/c20-16-9-4-5-10-17(16)24-19(22)12-6-11-18(21)23-14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
- InChI Key
- ACYRBLYKPHFCJK-UHFFFAOYSA-N
- Formula
- C19H19FO4
- SMILES
-
O=C(CCCC(=O)Oc1ccccc1F)OCCc1cc
ccc1 - Molecular Weight1
- 330.35
- 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 | 0.8384 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.687 | Crippen Calculated Property | |
| McVol | 247.700 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Inp | [2459.00; 2459.00] |
|
|
| Inp | 2459.00 | NIST | |
| Inp | 2459.00 | NIST | |
| Tboil | 648.08 | K | Relay (1.0) Calculated Property |
| Tc | 887.94 | K | Relay (1.0) Calculated Property |
| Tfus | 311.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.86; 796.00] | J/mol×K | [844.31; 1063.19] |
|
| Cp,gas | 731.86 | J/mol×K | 844.31 | Joback Calculated Property |
| Cp,gas | 745.41 | J/mol×K | 880.79 | Joback Calculated Property |
| Cp,gas | 757.77 | J/mol×K | 917.27 | Joback Calculated Property |
| Cp,gas | 768.98 | J/mol×K | 953.75 | Joback Calculated Property |
| Cp,gas | 779.06 | J/mol×K | 990.23 | Joback Calculated Property |
| Cp,gas | 788.06 | J/mol×K | 1026.71 | Joback Calculated Property |
| Cp,gas | 796.00 | J/mol×K | 1063.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-fluorophenyl phenethyl ester.
Sources
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