- InChI
- InChI=1S/C28H45F3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-28(32)23-22-24(29)26(31)27(33-2)25(23)30/h22H,3-21H2,1-2H3
- InChI Key
- NQUBKJPFVOGFSM-UHFFFAOYSA-N
- Formula
- C28H45F3O3
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)c1cc
(F)c(F)c(OC)c1F - Molecular Weight1
- 486.65
- 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).
- 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 |
|---|---|---|---|
| ω | 1.3047 | Relay (... Calculated Property | |
| ΔfG° | -664.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1294.33 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 73.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.32 | eV | Relay (... Calculated Property |
| log10WS | -9.42 | Relay (... Calculated Property | |
| logPoct/wat | 9.311 | Crippen Calculated Property | |
| McVol | 400.240 | ml/mol | McGowan Calculated Property |
| Pc | 714.54 | kPa | Joback Calculated Property |
| Inp | 3241.00 | NIST | |
| Tboil | 672.46 | K | Relay (... Calculated Property |
| Tc | 871.25 | K | Relay (... Calculated Property |
| Tfus | 339.26 | K | Relay (... Calculated Property |
| Vc | 1.533 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1371.41; 1465.48] | J/mol×K | [983.16; 1215.56] | 
|
| Cp,gas | 1371.41 | J/mol×K | 983.16 | Joback Calculated Property |
| Cp,gas | 1391.59 | J/mol×K | 1021.89 | Joback Calculated Property |
| Cp,gas | 1409.91 | J/mol×K | 1060.63 | Joback Calculated Property |
| Cp,gas | 1426.40 | J/mol×K | 1099.36 | Joback Calculated Property |
| Cp,gas | 1441.13 | J/mol×K | 1138.09 | Joback Calculated Property |
| Cp,gas | 1454.14 | J/mol×K | 1176.82 | Joback Calculated Property |
| Cp,gas | 1465.48 | J/mol×K | 1215.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, eicosyl ester.
Sources
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