- InChI
- InChI=1S/C18H17FO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3
- InChI Key
- VBBOWYZLHUVTKQ-UHFFFAOYSA-N
- Formula
- C18H17FO4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)Oc1cc
cc(F)c1 - Molecular Weight1
- 316.32
- 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 | 0.8024 | Relay (1.0) Calculated Property | |
| ΔfG° | -358.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.858 | Crippen Calculated Property | |
| McVol | 233.610 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [2174.00; 2174.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 635.85 | K | Relay (1.0) Calculated Property |
| Tc | 875.23 | K | Relay (1.0) Calculated Property |
| Tfus | 307.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.05; 738.12] | J/mol×K | [825.97; 1050.84] |
|
| Cp,gas | 675.05 | J/mol×K | 825.97 | Joback Calculated Property |
| Cp,gas | 688.51 | J/mol×K | 863.45 | Joback Calculated Property |
| Cp,gas | 700.76 | J/mol×K | 900.93 | Joback Calculated Property |
| Cp,gas | 711.82 | J/mol×K | 938.41 | Joback Calculated Property |
| Cp,gas | 721.72 | J/mol×K | 975.89 | Joback Calculated Property |
| Cp,gas | 730.48 | J/mol×K | 1013.37 | Joback Calculated Property |
| Cp,gas | 738.12 | J/mol×K | 1050.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-fluorophenyl isobutyl ester.
Sources
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