- InChI
- InChI=1S/C20H28F2O4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-12-16(21)11-17(22)13-18/h11-13,15H,3-10,14H2,1-2H3
- InChI Key
- DBCSXXJYJFDXFL-UHFFFAOYSA-N
- Formula
- C20H28F2O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
(F)cc(F)c1 - Molecular Weight1
- 370.43
- 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° | -649.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1129.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 5.190 | Crippen Calculated Property | |
| McVol | 287.320 | ml/mol | McGowan Calculated Property |
| Pc | 1251.26 | kPa | Joback Calculated Property |
| Inp | [2399.00; 2399.00] |
|
|
| Inp | 2399.00 | NIST | |
| Inp | 2399.00 | NIST | |
| Tboil | 844.32 | K | Joback Calculated Property |
| Tc | 1039.66 | K | Joback Calculated Property |
| Tfus | 497.12 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [892.31; 968.74] | J/mol×K | [844.32; 1039.66] |
|
| Cp,gas | 892.31 | J/mol×K | 844.32 | Joback Calculated Property |
| Cp,gas | 907.71 | J/mol×K | 876.88 | Joback Calculated Property |
| Cp,gas | 922.02 | J/mol×K | 909.43 | Joback Calculated Property |
| Cp,gas | 935.26 | J/mol×K | 941.99 | Joback Calculated Property |
| Cp,gas | 947.45 | J/mol×K | 974.54 | Joback Calculated Property |
| Cp,gas | 958.60 | J/mol×K | 1007.10 | Joback Calculated Property |
| Cp,gas | 968.74 | J/mol×K | 1039.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3,5-difluorophenyl isobutyl ester.
Sources
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