- InChI
- InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-33-25(31)19-20-26(32)34-22-23-17-14-15-18-24(23)27(28,29)30/h14-15,17-18H,2-13,16,19-22H2,1H3
- InChI Key
- RHNMJKCJKLYXTD-UHFFFAOYSA-N
- Formula
- C27H41F3O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCC(=O)OC
c1ccccc1C(F)(F)F - Molecular Weight1
- 486.61
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.2125 | Relay (1.0) Calculated Property | |
| ΔfG° | -770.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1581.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.163 | Crippen Calculated Property | |
| McVol | 387.720 | ml/mol | McGowan Calculated Property |
| Pc | 807.99 | kPa | Joback Calculated Property |
| Tboil | 682.95 | K | Relay (1.0) Calculated Property |
| Tc | 862.98 | K | Relay (1.0) Calculated Property |
| Tfus | 318.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.455 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1326.49; 1412.18] | J/mol×K | [995.98; 1225.49] | 
|
| Cp,gas | 1326.49 | J/mol×K | 995.98 | Joback Calculated Property |
| Cp,gas | 1344.33 | J/mol×K | 1034.23 | Joback Calculated Property |
| Cp,gas | 1360.62 | J/mol×K | 1072.48 | Joback Calculated Property |
| Cp,gas | 1375.46 | J/mol×K | 1110.73 | Joback Calculated Property |
| Cp,gas | 1388.94 | J/mol×K | 1148.98 | Joback Calculated Property |
| Cp,gas | 1401.15 | J/mol×K | 1187.23 | Joback Calculated Property |
| Cp,gas | 1412.18 | J/mol×K | 1225.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, pentadecyl 2-(trifluoromethyl)benzyl ester.
Sources
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