- InChI
- InChI=1S/C21H32F3NO/c1-3-5-7-8-9-10-11-12-16-25(15-6-4-2)21(26)17-13-14-18(22)20(24)19(17)23/h13-14H,3-12,15-16H2,1-2H3
- InChI Key
- LBTRGBKHNVLOPM-UHFFFAOYSA-N
- Formula
- C21H32F3NO
- SMILES
-
CCCCCCCCCCN(CCCC)C(=O)c1ccc(F)
c(F)c1F - Molecular Weight1
- 371.48
- 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 | 0.9589 | Relay (1.0) Calculated Property | |
| ΔfG° | -393.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.487 | Crippen Calculated Property | |
| McVol | 299.850 | ml/mol | McGowan Calculated Property |
| Pc | 1094.99 | kPa | Joback Calculated Property |
| Inp | [3010.00; 3010.00] |
|
|
| Inp | 3010.00 | NIST | |
| Inp | 3010.00 | NIST | |
| Tboil | 630.37 | K | Relay (1.0) Calculated Property |
| Tc | 814.23 | K | Relay (1.0) Calculated Property |
| Tfus | 294.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.125 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.93; 1009.92] | J/mol×K | [785.62; 966.93] |
|
| Cp,gas | 918.93 | J/mol×K | 785.62 | Joback Calculated Property |
| Cp,gas | 936.33 | J/mol×K | 815.84 | Joback Calculated Property |
| Cp,gas | 952.78 | J/mol×K | 846.06 | Joback Calculated Property |
| Cp,gas | 968.33 | J/mol×K | 876.27 | Joback Calculated Property |
| Cp,gas | 983.01 | J/mol×K | 906.49 | Joback Calculated Property |
| Cp,gas | 996.86 | J/mol×K | 936.71 | Joback Calculated Property |
| Cp,gas | 1009.92 | J/mol×K | 966.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-butyl-N-decyl-.
Sources
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