- InChI
- InChI=1S/C22H24F2O4/c1-2-3-4-5-6-7-11-27-21(25)16-9-8-10-17(12-16)22(26)28-20-14-18(23)13-19(24)15-20/h8-10,12-15H,2-7,11H2,1H3
- InChI Key
- DPSWMBLFNHKBSO-UHFFFAOYSA-N
- Formula
- C22H24F2O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
c(F)cc(F)c2)c1 - Molecular Weight1
- 390.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -527.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -940.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.78 | kJ/mol | Joback Calculated Property |
| log10WS | -7.39 | Crippen Calculated Property | |
| logPoct/wat | 5.701 | Crippen Calculated Property | |
| McVol | 291.740 | ml/mol | McGowan Calculated Property |
| Pc | 1360.63 | kPa | Joback Calculated Property |
| Inp | 2774.00 | NIST | |
| Tboil | 922.18 | K | Joback Calculated Property |
| Tc | 1136.92 | K | Joback Calculated Property |
| Tfus | 573.60 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.92; 971.77] | J/mol×K | [922.18; 1136.92] | 
|
| Cp,gas | 909.92 | J/mol×K | 922.18 | Joback Calculated Property |
| Cp,gas | 923.26 | J/mol×K | 957.97 | Joback Calculated Property |
| Cp,gas | 935.36 | J/mol×K | 993.76 | Joback Calculated Property |
| Cp,gas | 946.22 | J/mol×K | 1029.55 | Joback Calculated Property |
| Cp,gas | 955.89 | J/mol×K | 1065.34 | Joback Calculated Property |
| Cp,gas | 964.40 | J/mol×K | 1101.13 | Joback Calculated Property |
| Cp,gas | 971.77 | J/mol×K | 1136.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,5-difluorophenyl octyl ester.
Sources
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