- InChI
- InChI=1S/C22H32F2O4/c1-17(2)10-9-13-27-21(25)11-7-5-3-4-6-8-12-22(26)28-20-15-18(23)14-19(24)16-20/h14-17H,3-13H2,1-2H3
- InChI Key
- KDAXDNCDYZDKPY-UHFFFAOYSA-N
- Formula
- C22H32F2O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
cc(F)cc(F)c1 - Molecular Weight1
- 398.48
- 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° | -632.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1170.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.46 | kJ/mol | Joback Calculated Property |
| log10WS | -6.93 | Crippen Calculated Property | |
| logPoct/wat | 5.970 | Crippen Calculated Property | |
| McVol | 315.500 | ml/mol | McGowan Calculated Property |
| Pc | 1097.17 | kPa | Joback Calculated Property |
| Inp | [2609.00; 2609.00] |
|
|
| Inp | 2609.00 | NIST | |
| Inp | 2609.00 | NIST | |
| Tboil | 890.08 | K | Joback Calculated Property |
| Tc | 1090.97 | K | Joback Calculated Property |
| Tfus | 519.66 | K | Joback Calculated Property |
| Vc | 1.238 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1011.53; 1089.58] | J/mol×K | [890.08; 1090.97] |
|
| Cp,gas | 1011.53 | J/mol×K | 890.08 | Joback Calculated Property |
| Cp,gas | 1027.50 | J/mol×K | 923.56 | Joback Calculated Property |
| Cp,gas | 1042.26 | J/mol×K | 957.04 | Joback Calculated Property |
| Cp,gas | 1055.82 | J/mol×K | 990.52 | Joback Calculated Property |
| Cp,gas | 1068.21 | J/mol×K | 1024.00 | Joback Calculated Property |
| Cp,gas | 1079.45 | J/mol×K | 1057.49 | Joback Calculated Property |
| Cp,gas | 1089.58 | J/mol×K | 1090.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3,5-difluorophenyl isohexyl ester.
Sources
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