- InChI
- InChI=1S/C20H18F4O4/c1-2-3-6-9-27-19(25)13-7-4-5-8-14(13)20(26)28-11-12-10-15(21)17(23)18(24)16(12)22/h4-5,7-8,10H,2-3,6,9,11H2,1H3
- InChI Key
- XRBULHLKHFVCRE-UHFFFAOYSA-N
- Formula
- C20H18F4O4
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCc1cc
(F)c(F)c(F)c1F - Molecular Weight1
- 398.35
- 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 | 0.9540 | Relay (... Calculated Property | |
| ΔfG° | -952.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1248.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.66 | kJ/mol | Relay (... Calculated Property |
| IE | 9.17 | eV | Relay (... Calculated Property |
| log10WS | -6.90 | Relay (... Calculated Property | |
| logPoct/wat | 4.947 | Crippen Calculated Property | |
| McVol | 267.100 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | 2309.00 | NIST | |
| Tboil | 640.42 | K | Relay (... Calculated Property |
| Tc | 860.93 | K | Relay (... Calculated Property |
| Tfus | 280.04 | K | Relay (... Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.96; 862.48] | J/mol×K | [884.92; 1091.69] | 
|
| Cp,gas | 805.96 | J/mol×K | 884.92 | Joback Calculated Property |
| Cp,gas | 818.11 | J/mol×K | 919.38 | Joback Calculated Property |
| Cp,gas | 829.14 | J/mol×K | 953.84 | Joback Calculated Property |
| Cp,gas | 839.09 | J/mol×K | 988.30 | Joback Calculated Property |
| Cp,gas | 847.95 | J/mol×K | 1022.77 | Joback Calculated Property |
| Cp,gas | 855.74 | J/mol×K | 1057.23 | Joback Calculated Property |
| Cp,gas | 862.48 | J/mol×K | 1091.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, pentyl 2,3,4,5-tetrafluorobenzyl ester.
Sources
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