- InChI
- InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-33-24(31)20-21-25(32)34-26(27(28,29)30)23-18-15-14-16-19-23/h14-16,18-19,26H,2-13,17,20-22H2,1H3
- InChI Key
- BBQXSVDIGGSPFG-UHFFFAOYSA-N
- Formula
- C27H41F3O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCC(=O)OC
(c1ccccc1)C(F)(F)F - Molecular Weight1
- 486.61
- 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° | -763.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1456.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.15 | kJ/mol | Joback Calculated Property |
| log10WS | -9.07 | Crippen Calculated Property | |
| logPoct/wat | 8.248 | Crippen Calculated Property | |
| McVol | 387.720 | ml/mol | McGowan Calculated Property |
| Pc | 818.66 | kPa | Joback Calculated Property |
| Inp | 2885.00 | NIST | |
| Tboil | 990.56 | K | Joback Calculated Property |
| Tc | 1217.28 | K | Joback Calculated Property |
| Tfus | 553.98 | K | Joback Calculated Property |
| Vc | 1.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1327.43; 1413.47] | J/mol×K | [990.56; 1217.28] | 
|
| Cp,gas | 1327.43 | J/mol×K | 990.56 | Joback Calculated Property |
| Cp,gas | 1345.21 | J/mol×K | 1028.35 | Joback Calculated Property |
| Cp,gas | 1361.49 | J/mol×K | 1066.13 | Joback Calculated Property |
| Cp,gas | 1376.36 | J/mol×K | 1103.92 | Joback Calculated Property |
| Cp,gas | 1389.92 | J/mol×K | 1141.71 | Joback Calculated Property |
| Cp,gas | 1402.26 | J/mol×K | 1179.49 | Joback Calculated Property |
| Cp,gas | 1413.47 | J/mol×K | 1217.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, pentadecyl 1-phenyl-2,2,2-trifluoroethyl ester.
Sources
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