- InChI
- InChI=1S/C22H31F3O5/c1-17(2)15-28-20(26)9-7-5-3-4-6-8-10-21(27)29-16-18-11-13-19(14-12-18)30-22(23,24)25/h11-14,17H,3-10,15-16H2,1-2H3
- InChI Key
- LVVHCJCSPGHUQW-UHFFFAOYSA-N
- Formula
- C22H31F3O5
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCc1c
cc(OC(F)(F)F)cc1 - Molecular Weight1
- 432.47
- 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° | -919.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1496.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.09 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 5.948 | Crippen Calculated Property | |
| McVol | 323.140 | ml/mol | McGowan Calculated Property |
| Pc | 1077.10 | kPa | Joback Calculated Property |
| Inp | [2389.00; 2389.00] |
|
|
| Inp | 2389.00 | NIST | |
| Inp | 2389.00 | NIST | |
| Tboil | 903.56 | K | Joback Calculated Property |
| Tc | 1106.81 | K | Joback Calculated Property |
| Tfus | 532.38 | K | Joback Calculated Property |
| Vc | 1.262 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1049.27; 1122.85] | J/mol×K | [903.56; 1106.81] |
|
| Cp,gas | 1049.27 | J/mol×K | 903.56 | Joback Calculated Property |
| Cp,gas | 1064.56 | J/mol×K | 937.44 | Joback Calculated Property |
| Cp,gas | 1078.59 | J/mol×K | 971.31 | Joback Calculated Property |
| Cp,gas | 1091.40 | J/mol×K | 1005.19 | Joback Calculated Property |
| Cp,gas | 1103.02 | J/mol×K | 1039.06 | Joback Calculated Property |
| Cp,gas | 1113.49 | J/mol×K | 1072.94 | Joback Calculated Property |
| Cp,gas | 1122.85 | J/mol×K | 1106.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl 4-trifluoromethoxybenzyl ester.
Sources
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