- InChI
- InChI=1S/C28H42F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-21(35)20-34(2)28(36)22-23(29)25(31)27(33)26(32)24(22)30/h3-20H2,1-2H3
- InChI Key
- UTIHMRHCEPEWFG-UHFFFAOYSA-N
- Formula
- C28H42F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C
(=O)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 535.63
- 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° | -976.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1712.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 83.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.37 | kJ/mol | Joback Calculated Property |
| log10WS | -10.09 | Crippen Calculated Property | |
| logPoct/wat | 8.259 | Crippen Calculated Property | |
| McVol | 409.460 | ml/mol | McGowan Calculated Property |
| Pc | 704.33 | kPa | Joback Calculated Property |
| Inp | 3442.00 | NIST | |
| Tboil | 1030.57 | K | Joback Calculated Property |
| Tc | 1291.34 | K | Joback Calculated Property |
| Tfus | 651.85 | K | Joback Calculated Property |
| Vc | 1.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1415.25; 1504.78] | J/mol×K | [1030.57; 1291.34] | 
|
| Cp,gas | 1415.25 | J/mol×K | 1030.57 | Joback Calculated Property |
| Cp,gas | 1434.98 | J/mol×K | 1074.03 | Joback Calculated Property |
| Cp,gas | 1452.65 | J/mol×K | 1117.49 | Joback Calculated Property |
| Cp,gas | 1468.36 | J/mol×K | 1160.95 | Joback Calculated Property |
| Cp,gas | 1482.22 | J/mol×K | 1204.41 | Joback Calculated Property |
| Cp,gas | 1494.32 | J/mol×K | 1247.88 | Joback Calculated Property |
| Cp,gas | 1504.78 | J/mol×K | 1291.34 | Joback Calculated Property |
Similar Compounds
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Sources
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