- InChI
- InChI=1S/C20H12F2O4/c21-15-8-1-3-10-17(15)25-19(23)13-6-5-7-14(12-13)20(24)26-18-11-4-2-9-16(18)22/h1-12H
- InChI Key
- NDNOMZDYMUNYFI-UHFFFAOYSA-N
- Formula
- C20H12F2O4
- SMILES
-
O=C(Oc1ccccc1F)c1cccc(C(=O)Oc2
ccccc2F)c1 - Molecular Weight1
- 354.30
- 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 | 0.8228 | Relay (1.0) Calculated Property | |
| ΔfG° | -431.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.403 | Crippen Calculated Property | |
| McVol | 239.800 | ml/mol | McGowan Calculated Property |
| Pc | 2088.84 | kPa | Joback Calculated Property |
| Inp | [2852.00; 2852.00] |
|
|
| Inp | 2852.00 | NIST | |
| Inp | 2852.00 | NIST | |
| Tboil | 663.25 | K | Relay (1.0) Calculated Property |
| Tc | 975.06 | K | Relay (1.0) Calculated Property |
| Tfus | 376.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.887 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.87; 737.51] | J/mol×K | [903.10; 1144.49] |
|
| Cp,gas | 691.87 | J/mol×K | 903.10 | Joback Calculated Property |
| Cp,gas | 702.67 | J/mol×K | 943.33 | Joback Calculated Property |
| Cp,gas | 712.14 | J/mol×K | 983.56 | Joback Calculated Property |
| Cp,gas | 720.31 | J/mol×K | 1023.80 | Joback Calculated Property |
| Cp,gas | 727.24 | J/mol×K | 1064.03 | Joback Calculated Property |
| Cp,gas | 732.95 | J/mol×K | 1104.26 | Joback Calculated Property |
| Cp,gas | 737.51 | J/mol×K | 1144.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2-fluorophenyl) ester.
Sources
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