- InChI
- InChI=1S/C20H28F2O4/c1-2-3-12-25-19(23)10-8-6-4-5-7-9-11-20(24)26-18-14-16(21)13-17(22)15-18/h13-15H,2-12H2,1H3
- InChI Key
- JKNVUVMBWHOJJT-UHFFFAOYSA-N
- Formula
- C20H28F2O4
- SMILES
-
CCCCOC(=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° | -646.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1124.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 5.334 | Crippen Calculated Property | |
| McVol | 287.320 | ml/mol | McGowan Calculated Property |
| Pc | 1244.21 | kPa | Joback Calculated Property |
| Inp | [2447.00; 2447.00] |
|
|
| Inp | 2447.00 | NIST | |
| Inp | 2447.00 | NIST | |
| Tboil | 844.76 | K | Joback Calculated Property |
| Tc | 1038.99 | K | Joback Calculated Property |
| Tfus | 512.12 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [891.79; 968.09] | J/mol×K | [844.76; 1038.99] |
|
| Cp,gas | 891.79 | J/mol×K | 844.76 | Joback Calculated Property |
| Cp,gas | 907.11 | J/mol×K | 877.13 | Joback Calculated Property |
| Cp,gas | 921.37 | J/mol×K | 909.50 | Joback Calculated Property |
| Cp,gas | 934.58 | J/mol×K | 941.87 | Joback Calculated Property |
| Cp,gas | 946.76 | J/mol×K | 974.24 | Joback Calculated Property |
| Cp,gas | 957.92 | J/mol×K | 1006.62 | Joback Calculated Property |
| Cp,gas | 968.09 | J/mol×K | 1038.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 3,5-difluorophenyl ester.
Sources
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