- InChI
- InChI=1S/C30H44F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-41-26(39)25(23-24-20-17-16-18-21-24)38-27(40)28(31,32)29(33,34)30(35,36)37/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,38,40)
- InChI Key
- PPJKZUYNOPPALL-UHFFFAOYSA-N
- Formula
- C30H44F7NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(Cc1cc
ccc1)NC(=O)C(F)(F)C(F)(F)C(F)( F)F - Molecular Weight1
- 599.66
- 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 | 1.2515 | Relay (1.0) Calculated Property | |
| ΔfG° | -1316.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2275.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.961 | Crippen Calculated Property | |
| McVol | 441.180 | ml/mol | McGowan Calculated Property |
| Pc | 659.15 | kPa | Joback Calculated Property |
| Inp | 3063.00 | NIST | |
| Tboil | 694.23 | K | Relay (1.0) Calculated Property |
| Tc | 854.27 | K | Relay (1.0) Calculated Property |
| Tfus | 332.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1575.78; 1692.63] | J/mol×K | [1077.57; 1353.96] | 
|
| Cp,gas | 1575.78 | J/mol×K | 1077.57 | Joback Calculated Property |
| Cp,gas | 1597.06 | J/mol×K | 1123.63 | Joback Calculated Property |
| Cp,gas | 1617.18 | J/mol×K | 1169.70 | Joback Calculated Property |
| Cp,gas | 1636.46 | J/mol×K | 1215.76 | Joback Calculated Property |
| Cp,gas | 1655.25 | J/mol×K | 1261.83 | Joback Calculated Property |
| Cp,gas | 1673.86 | J/mol×K | 1307.89 | Joback Calculated Property |
| Cp,gas | 1692.63 | J/mol×K | 1353.96 | Joback Calculated Property |
Similar Compounds
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Sources
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