- InChI
- InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-8-9-13-29-23(27)18-11-10-12-19(14-18)24(28)30-22-16-20(25)15-21(26)17-22/h10-12,14-17H,2-9,13H2,1H3
- InChI Key
- OSOYDPGHCHPSOZ-UHFFFAOYSA-N
- Formula
- C24H28F2O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)Oc
2cc(F)cc(F)c2)c1 - Molecular Weight1
- 418.47
- 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° | -510.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.23 | kJ/mol | Joback Calculated Property |
| log10WS | -8.23 | Crippen Calculated Property | |
| logPoct/wat | 6.481 | Crippen Calculated Property | |
| McVol | 319.920 | ml/mol | McGowan Calculated Property |
| Pc | 1186.60 | kPa | Joback Calculated Property |
| Inp | [2896.00; 2896.00] |
|
|
| Inp | 2896.00 | NIST | |
| Inp | 2896.00 | NIST | |
| Tboil | 967.94 | K | Joback Calculated Property |
| Tc | 1187.08 | K | Joback Calculated Property |
| Tfus | 596.14 | K | Joback Calculated Property |
| Vc | 1.248 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.50; 1090.47] | J/mol×K | [967.94; 1187.08] |
|
| Cp,gas | 1028.50 | J/mol×K | 967.94 | Joback Calculated Property |
| Cp,gas | 1042.11 | J/mol×K | 1004.46 | Joback Calculated Property |
| Cp,gas | 1054.36 | J/mol×K | 1040.99 | Joback Calculated Property |
| Cp,gas | 1065.28 | J/mol×K | 1077.51 | Joback Calculated Property |
| Cp,gas | 1074.91 | J/mol×K | 1114.04 | Joback Calculated Property |
| Cp,gas | 1083.29 | J/mol×K | 1150.56 | Joback Calculated Property |
| Cp,gas | 1090.47 | J/mol×K | 1187.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,5-difluorophenyl decyl ester.
Sources
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