- InChI
- InChI=1S/C21H33F2NO/c1-3-5-7-9-11-16-24(17-12-10-8-6-4-2)21(25)20-18(22)14-13-15-19(20)23/h13-15H,3-12,16-17H2,1-2H3
- InChI Key
- TVSMWNGIRQEUPY-UHFFFAOYSA-N
- Formula
- C21H33F2NO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)c1c(F)cc
cc1F - Molecular Weight1
- 353.49
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -188.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.09 | kJ/mol | Joback Calculated Property |
| log10WS | -7.30 | Crippen Calculated Property | |
| logPoct/wat | 6.348 | Crippen Calculated Property | |
| McVol | 298.080 | ml/mol | McGowan Calculated Property |
| Pc | 1139.80 | kPa | Joback Calculated Property |
| Inp | [2268.00; 2268.00] |
|
|
| Inp | 2268.00 | NIST | |
| Inp | 2268.00 | NIST | |
| Tboil | 781.37 | K | Joback Calculated Property |
| Tc | 964.73 | K | Joback Calculated Property |
| Tfus | 461.47 | K | Joback Calculated Property |
| Vc | 1.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [911.58; 1004.82] | J/mol×K | [781.37; 964.73] |
|
| Cp,gas | 911.58 | J/mol×K | 781.37 | Joback Calculated Property |
| Cp,gas | 929.42 | J/mol×K | 811.93 | Joback Calculated Property |
| Cp,gas | 946.28 | J/mol×K | 842.49 | Joback Calculated Property |
| Cp,gas | 962.21 | J/mol×K | 873.05 | Joback Calculated Property |
| Cp,gas | 977.25 | J/mol×K | 903.61 | Joback Calculated Property |
| Cp,gas | 991.44 | J/mol×K | 934.17 | Joback Calculated Property |
| Cp,gas | 1004.82 | J/mol×K | 964.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diheptyl-2,6-difluoro-.
Sources
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