- InChI
- InChI=1S/C17H23FO4/c1-2-3-4-5-12-21-16(19)10-7-11-17(20)22-15-9-6-8-14(18)13-15/h6,8-9,13H,2-5,7,10-12H2,1H3
- InChI Key
- OEJPGQPBBFSDMK-UHFFFAOYSA-N
- Formula
- C17H23FO4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)Oc1cccc(F)
c1 - Molecular Weight1
- 310.36
- 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 | 0.8902 | Relay (1.0) Calculated Property | |
| ΔfG° | -467.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -984.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.025 | Crippen Calculated Property | |
| McVol | 243.280 | ml/mol | McGowan Calculated Property |
| Pc | 1616.77 | kPa | Joback Calculated Property |
| Inp | 2181.00 | NIST | |
| Tboil | 613.86 | K | Relay (1.0) Calculated Property |
| Tc | 798.31 | K | Relay (1.0) Calculated Property |
| Tfus | 285.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.910 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.99; 787.29] | J/mol×K | [771.87; 966.58] | 
|
| Cp,gas | 711.99 | J/mol×K | 771.87 | Joback Calculated Property |
| Cp,gas | 726.89 | J/mol×K | 804.32 | Joback Calculated Property |
| Cp,gas | 740.82 | J/mol×K | 836.77 | Joback Calculated Property |
| Cp,gas | 753.82 | J/mol×K | 869.23 | Joback Calculated Property |
| Cp,gas | 765.88 | J/mol×K | 901.68 | Joback Calculated Property |
| Cp,gas | 777.03 | J/mol×K | 934.13 | Joback Calculated Property |
| Cp,gas | 787.29 | J/mol×K | 966.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-fluorophenyl hexyl ester.
Sources
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