- InChI
- InChI=1S/C24H18F4O4/c1-13(21-17(25)9-5-10-18(21)26)31-23(29)15-7-3-4-8-16(15)24(30)32-14(2)22-19(27)11-6-12-20(22)28/h3-14H,1-2H3
- InChI Key
- KRWHDSPXQWRLTL-UHFFFAOYSA-N
- Formula
- C24H18F4O4
- SMILES
-
CC(OC(=O)c1ccccc1C(=O)OC(C)c1c
(F)cccc1F)c1c(F)cccc1F - Molecular Weight1
- 446.39
- 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 | 0.8709 | Relay (1.0) Calculated Property | |
| ΔfG° | -811.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1162.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.079 | Crippen Calculated Property | |
| McVol | 299.700 | ml/mol | McGowan Calculated Property |
| Pc | 1396.46 | kPa | Joback Calculated Property |
| Inp | 2733.00 | NIST | |
| Tboil | 670.21 | K | Relay (1.0) Calculated Property |
| Tc | 962.45 | K | Relay (1.0) Calculated Property |
| Tfus | 372.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.100 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [931.76; 971.51] | J/mol×K | [1002.24; 1234.66] | 
|
| Cp,gas | 931.76 | J/mol×K | 1002.24 | Joback Calculated Property |
| Cp,gas | 941.83 | J/mol×K | 1040.98 | Joback Calculated Property |
| Cp,gas | 950.46 | J/mol×K | 1079.71 | Joback Calculated Property |
| Cp,gas | 957.71 | J/mol×K | 1118.45 | Joback Calculated Property |
| Cp,gas | 963.60 | J/mol×K | 1157.19 | Joback Calculated Property |
| Cp,gas | 968.19 | J/mol×K | 1195.93 | Joback Calculated Property |
| Cp,gas | 971.51 | J/mol×K | 1234.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, di(1-(2,6-difluorophenyl)ethyl) ester.
Sources
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