- InChI
- InChI=1S/C21H29F3O5/c1-2-15-27-19(25)9-7-5-3-4-6-8-10-20(26)28-16-17-11-13-18(14-12-17)29-21(22,23)24/h11-14H,2-10,15-16H2,1H3
- InChI Key
- NSBPWFIEOLGOQF-UHFFFAOYSA-N
- Formula
- C21H29F3O5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCc1ccc(
OC(F)(F)F)cc1 - Molecular Weight1
- 418.45
- 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° | -925.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1470.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.80 | Crippen Calculated Property | |
| logPoct/wat | 5.702 | Crippen Calculated Property | |
| McVol | 309.050 | ml/mol | McGowan Calculated Property |
| Pc | 1142.12 | kPa | Joback Calculated Property |
| Inp | [2347.00; 2347.00] |
|
|
| Inp | 2347.00 | NIST | |
| Inp | 2347.00 | NIST | |
| Tboil | 881.12 | K | Joback Calculated Property |
| Tc | 1080.15 | K | Joback Calculated Property |
| Tfus | 536.11 | K | Joback Calculated Property |
| Vc | 1.212 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.01; 1062.00] | J/mol×K | [881.12; 1080.15] |
|
| Cp,gas | 989.01 | J/mol×K | 881.12 | Joback Calculated Property |
| Cp,gas | 1004.01 | J/mol×K | 914.29 | Joback Calculated Property |
| Cp,gas | 1017.83 | J/mol×K | 947.46 | Joback Calculated Property |
| Cp,gas | 1030.51 | J/mol×K | 980.64 | Joback Calculated Property |
| Cp,gas | 1042.07 | J/mol×K | 1013.81 | Joback Calculated Property |
| Cp,gas | 1052.56 | J/mol×K | 1046.98 | Joback Calculated Property |
| Cp,gas | 1062.00 | J/mol×K | 1080.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, propyl 4-trifluoromethoxybenzyl ester.
Sources
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