- InChI
- InChI=1S/C25H40F3NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-29(19-6-4-2)25(30)21-17-18-22(26)24(28)23(21)27/h17-18H,3-16,19-20H2,1-2H3
- InChI Key
- KDIXDTGIMIFDPR-UHFFFAOYSA-N
- Formula
- C25H40F3NO
- SMILES
-
CCCCCCCCCCCCCCN(CCCC)C(=O)c1cc
c(F)c(F)c1F - Molecular Weight1
- 427.59
- 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 | 1.1026 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -937.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.047 | Crippen Calculated Property | |
| McVol | 356.210 | ml/mol | McGowan Calculated Property |
| Pc | 862.01 | kPa | Joback Calculated Property |
| Inp | [3361.00; 3361.00] |
|
|
| Inp | 3361.00 | NIST | |
| Inp | 3361.00 | NIST | |
| Tboil | 660.15 | K | Relay (1.0) Calculated Property |
| Tc | 847.22 | K | Relay (1.0) Calculated Property |
| Tfus | 306.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1163.14; 1262.87] | J/mol×K | [877.14; 1073.99] |
|
| Cp,gas | 1163.14 | J/mol×K | 877.14 | Joback Calculated Property |
| Cp,gas | 1182.47 | J/mol×K | 909.95 | Joback Calculated Property |
| Cp,gas | 1200.63 | J/mol×K | 942.76 | Joback Calculated Property |
| Cp,gas | 1217.69 | J/mol×K | 975.57 | Joback Calculated Property |
| Cp,gas | 1233.71 | J/mol×K | 1008.38 | Joback Calculated Property |
| Cp,gas | 1248.75 | J/mol×K | 1041.19 | Joback Calculated Property |
| Cp,gas | 1262.87 | J/mol×K | 1073.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-butyl-N-tetradecyl-.
Sources
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