- InChI
- InChI=1S/C32H43F4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37(31(38)27-20-18-25(33)23-29(27)35)32(39)28-21-19-26(34)24-30(28)36/h18-21,23-24H,2-17,22H2,1H3
- InChI Key
- UQEKQJDZYCZYAH-UHFFFAOYSA-N
- Formula
- C32H43F4NO2
- SMILES
-
CCCCCCCCCCCCCCCCCCN(C(=O)c1ccc
(F)cc1F)C(=O)c1ccc(F)cc1F - Molecular Weight1
- 549.68
- 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 | 1.3574 | Relay (1.0) Calculated Property | |
| ΔfG° | -521.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1181.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.787 | Crippen Calculated Property | |
| McVol | 434.420 | ml/mol | McGowan Calculated Property |
| Pc | 713.39 | kPa | Joback Calculated Property |
| Inp | [3437.00; 3437.00] |
|
|
| Inp | 3437.00 | NIST | |
| Inp | 3437.00 | NIST | |
| Tboil | 736.89 | K | Relay (1.0) Calculated Property |
| Tc | 976.43 | K | Relay (1.0) Calculated Property |
| Tfus | 354.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.634 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1524.44; 1617.42] | J/mol×K | [1122.10; 1400.64] |
|
| Cp,gas | 1524.44 | J/mol×K | 1122.10 | Joback Calculated Property |
| Cp,gas | 1543.32 | J/mol×K | 1168.52 | Joback Calculated Property |
| Cp,gas | 1560.55 | J/mol×K | 1214.95 | Joback Calculated Property |
| Cp,gas | 1576.35 | J/mol×K | 1261.37 | Joback Calculated Property |
| Cp,gas | 1590.96 | J/mol×K | 1307.80 | Joback Calculated Property |
| Cp,gas | 1604.58 | J/mol×K | 1354.22 | Joback Calculated Property |
| Cp,gas | 1617.42 | J/mol×K | 1400.64 | Joback Calculated Property |
Similar Compounds
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Sources
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