- InChI
- InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-10-11-15-31-25(29)20-13-12-14-21(16-20)26(30)32-24-18-22(27)17-23(28)19-24/h12-14,16-19H,2-11,15H2,1H3
- InChI Key
- ZGKXHRKLZBOLLT-UHFFFAOYSA-N
- Formula
- C26H32F2O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
Oc2cc(F)cc(F)c2)c1 - Molecular Weight1
- 446.53
- 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° | -493.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1023.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.69 | kJ/mol | Joback Calculated Property |
| log10WS | -9.07 | Crippen Calculated Property | |
| logPoct/wat | 7.262 | Crippen Calculated Property | |
| McVol | 348.100 | ml/mol | McGowan Calculated Property |
| Pc | 1043.95 | kPa | Joback Calculated Property |
| Inp | 3195.00 | NIST | |
| Tboil | 1013.70 | K | Joback Calculated Property |
| Tc | 1241.05 | K | Joback Calculated Property |
| Tfus | 618.68 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1149.11; 1210.84] | J/mol×K | [1013.70; 1241.05] | 
|
| Cp,gas | 1149.11 | J/mol×K | 1013.70 | Joback Calculated Property |
| Cp,gas | 1163.01 | J/mol×K | 1051.59 | Joback Calculated Property |
| Cp,gas | 1175.39 | J/mol×K | 1089.48 | Joback Calculated Property |
| Cp,gas | 1186.32 | J/mol×K | 1127.38 | Joback Calculated Property |
| Cp,gas | 1195.83 | J/mol×K | 1165.27 | Joback Calculated Property |
| Cp,gas | 1203.99 | J/mol×K | 1203.16 | Joback Calculated Property |
| Cp,gas | 1210.84 | J/mol×K | 1241.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,5-difluorophenyl dodecyl ester.
Sources
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