- InChI
- InChI=1S/C18H14F4O4/c1-2-7-25-17(23)11-5-3-4-6-12(11)18(24)26-9-10-8-13(19)15(21)16(22)14(10)20/h3-6,8H,2,7,9H2,1H3
- InChI Key
- ZPNJQMGSFIVIHJ-UHFFFAOYSA-N
- Formula
- C18H14F4O4
- SMILES
-
CCCOC(=O)c1ccccc1C(=O)OCc1cc(F
)c(F)c(F)c1F - Molecular Weight1
- 370.30
- 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 | 0.8651 | Relay (1.0) Calculated Property | |
| ΔfG° | -969.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1213.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.167 | Crippen Calculated Property | |
| McVol | 238.920 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | 2105.00 | NIST | |
| Tboil | 625.23 | K | Relay (1.0) Calculated Property |
| Tc | 840.33 | K | Relay (1.0) Calculated Property |
| Tfus | 286.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.04; 747.98] | J/mol×K | [839.16; 1044.76] | 
|
| Cp,gas | 693.04 | J/mol×K | 839.16 | Joback Calculated Property |
| Cp,gas | 704.68 | J/mol×K | 873.43 | Joback Calculated Property |
| Cp,gas | 715.31 | J/mol×K | 907.69 | Joback Calculated Property |
| Cp,gas | 724.95 | J/mol×K | 941.96 | Joback Calculated Property |
| Cp,gas | 733.61 | J/mol×K | 976.22 | Joback Calculated Property |
| Cp,gas | 741.28 | J/mol×K | 1010.49 | Joback Calculated Property |
| Cp,gas | 747.98 | J/mol×K | 1044.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, propyl 2,3,4,5-tetrafluorobenzyl ester.
Sources
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