- InChI
- InChI=1S/C27H38F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-38-23(36)22(20-21-17-14-13-15-18-21)35-24(37)25(28,29)26(30,31)27(32,33)34/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,35,37)
- InChI Key
- QWZVQXJJVOMLTI-UHFFFAOYSA-N
- Formula
- C27H38F7NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(Cc1ccccc
1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 557.58
- 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 | 1.1417 | Relay (1.0) Calculated Property | |
| ΔfG° | -1342.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2217.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.791 | Crippen Calculated Property | |
| McVol | 398.910 | ml/mol | McGowan Calculated Property |
| Pc | 768.61 | kPa | Joback Calculated Property |
| Inp | 2677.00 | NIST | |
| Tboil | 671.27 | K | Relay (1.0) Calculated Property |
| Tc | 829.82 | K | Relay (1.0) Calculated Property |
| Tfus | 327.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.457 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1385.84; 1481.13] | J/mol×K | [1008.93; 1247.04] | 
|
| Cp,gas | 1385.84 | J/mol×K | 1008.93 | Joback Calculated Property |
| Cp,gas | 1403.82 | J/mol×K | 1048.61 | Joback Calculated Property |
| Cp,gas | 1420.70 | J/mol×K | 1088.30 | Joback Calculated Property |
| Cp,gas | 1436.67 | J/mol×K | 1127.98 | Joback Calculated Property |
| Cp,gas | 1451.93 | J/mol×K | 1167.67 | Joback Calculated Property |
| Cp,gas | 1466.69 | J/mol×K | 1207.35 | Joback Calculated Property |
| Cp,gas | 1481.13 | J/mol×K | 1247.04 | Joback Calculated Property |
Similar Compounds
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Sources
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