- InChI
- InChI=1S/C17H23FO4/c1-13(2)12-22-17(20)9-5-8-16(19)21-11-10-14-6-3-4-7-15(14)18/h3-4,6-7,13H,5,8-12H2,1-2H3
- InChI Key
- TYSQMLPWWZXYPA-UHFFFAOYSA-N
- Formula
- C17H23FO4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCCc1ccccc
1F - 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 | 0.8205 | Relay (1.0) Calculated Property | |
| ΔfG° | -470.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.281 | Crippen Calculated Property | |
| McVol | 243.280 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | 2134.00 | NIST | |
| Tboil | 619.31 | K | Relay (1.0) Calculated Property |
| Tc | 791.16 | K | Relay (1.0) Calculated Property |
| Tfus | 291.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.53; 788.46] | J/mol×K | [771.43; 968.49] | 
|
| Cp,gas | 712.53 | J/mol×K | 771.43 | Joback Calculated Property |
| Cp,gas | 727.61 | J/mol×K | 804.27 | Joback Calculated Property |
| Cp,gas | 741.70 | J/mol×K | 837.12 | Joback Calculated Property |
| Cp,gas | 754.82 | J/mol×K | 869.96 | Joback Calculated Property |
| Cp,gas | 766.97 | J/mol×K | 902.80 | Joback Calculated Property |
| Cp,gas | 778.18 | J/mol×K | 935.65 | Joback Calculated Property |
| Cp,gas | 788.46 | J/mol×K | 968.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-(2-fluorophenyl)ethyl isobutyl ester.
Sources
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