- InChI
- InChI=1S/C18H26F3NO/c1-2-3-4-5-6-7-8-9-10-13-22-18(23)14-11-12-15(19)17(21)16(14)20/h11-12H,2-10,13H2,1H3,(H,22,23)
- InChI Key
- MNWCCULZLRWFIZ-UHFFFAOYSA-N
- Formula
- C18H26F3NO
- SMILES
-
CCCCCCCCCCCNC(=O)c1ccc(F)c(F)c
1F - Molecular Weight1
- 329.40
- 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 | 0.9078 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 257.580 | ml/mol | McGowan Calculated Property |
| Pc | 1352.64 | kPa | Joback Calculated Property |
| Inp | [2240.00; 2240.00] |
|
|
| Inp | 2240.00 | NIST | |
| Inp | 2240.00 | NIST | |
| Tboil | 608.58 | K | Relay (1.0) Calculated Property |
| Tc | 817.29 | K | Relay (1.0) Calculated Property |
| Tfus | 336.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.965 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.72; 845.27] | J/mol×K | [754.71; 936.62] |
|
| Cp,gas | 763.72 | J/mol×K | 754.71 | Joback Calculated Property |
| Cp,gas | 779.33 | J/mol×K | 785.03 | Joback Calculated Property |
| Cp,gas | 794.09 | J/mol×K | 815.35 | Joback Calculated Property |
| Cp,gas | 808.03 | J/mol×K | 845.66 | Joback Calculated Property |
| Cp,gas | 821.19 | J/mol×K | 875.98 | Joback Calculated Property |
| Cp,gas | 833.60 | J/mol×K | 906.30 | Joback Calculated Property |
| Cp,gas | 845.27 | J/mol×K | 936.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-undecyl-.
Sources
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