- InChI
- InChI=1S/C22H34F3NO/c1-3-5-7-8-9-10-11-12-13-17-26(16-6-4-2)22(27)18-14-15-19(23)21(25)20(18)24/h14-15H,3-13,16-17H2,1-2H3
- InChI Key
- WZOSPMSVAKWXLL-UHFFFAOYSA-N
- Formula
- C22H34F3NO
- SMILES
-
CCCCCCCCCCCN(CCCC)C(=O)c1ccc(F
)c(F)c1F - Molecular Weight1
- 385.51
- 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 | 0.9951 | Relay (1.0) Calculated Property | |
| ΔfG° | -384.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -876.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.877 | Crippen Calculated Property | |
| McVol | 313.940 | ml/mol | McGowan Calculated Property |
| Pc | 1028.60 | kPa | Joback Calculated Property |
| Inp | [3157.00; 3157.00] |
|
|
| Inp | 3157.00 | NIST | |
| Inp | 3157.00 | NIST | |
| Tboil | 638.32 | K | Relay (1.0) Calculated Property |
| Tc | 822.82 | K | Relay (1.0) Calculated Property |
| Tfus | 298.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.180 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.82; 1071.80] | J/mol×K | [808.50; 992.49] |
|
| Cp,gas | 978.82 | J/mol×K | 808.50 | Joback Calculated Property |
| Cp,gas | 996.65 | J/mol×K | 839.17 | Joback Calculated Property |
| Cp,gas | 1013.48 | J/mol×K | 869.83 | Joback Calculated Property |
| Cp,gas | 1029.38 | J/mol×K | 900.50 | Joback Calculated Property |
| Cp,gas | 1044.36 | J/mol×K | 931.16 | Joback Calculated Property |
| Cp,gas | 1058.49 | J/mol×K | 961.83 | Joback Calculated Property |
| Cp,gas | 1071.80 | J/mol×K | 992.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-butyl-N-undecyl-.
Sources
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