- InChI
- InChI=1S/C21H33F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-21(25)19-17-18(22)14-15-20(19)23/h14-15,17H,2-13,16H2,1H3,(H,24,25)
- InChI Key
- ZYYKQUXTZHETHW-UHFFFAOYSA-N
- Formula
- C21H33F2NO
- SMILES
-
CCCCCCCCCCCCCCNC(=O)c1cc(F)ccc
1F - Molecular Weight1
- 353.49
- 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 | 1.0010 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.396 | Crippen Calculated Property | |
| McVol | 298.080 | ml/mol | McGowan Calculated Property |
| Pc | 1151.44 | kPa | Joback Calculated Property |
| Inp | [2588.00; 2588.00] |
|
|
| Inp | 2588.00 | NIST | |
| Inp | 2588.00 | NIST | |
| Tboil | 635.74 | K | Relay (1.0) Calculated Property |
| Tc | 862.82 | K | Relay (1.0) Calculated Property |
| Tfus | 343.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.126 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.01; 1021.37] | J/mol×K | [819.10; 1008.10] |
|
| Cp,gas | 932.01 | J/mol×K | 819.10 | Joback Calculated Property |
| Cp,gas | 949.24 | J/mol×K | 850.60 | Joback Calculated Property |
| Cp,gas | 965.48 | J/mol×K | 882.10 | Joback Calculated Property |
| Cp,gas | 980.77 | J/mol×K | 913.60 | Joback Calculated Property |
| Cp,gas | 995.15 | J/mol×K | 945.10 | Joback Calculated Property |
| Cp,gas | 1008.67 | J/mol×K | 976.60 | Joback Calculated Property |
| Cp,gas | 1021.37 | J/mol×K | 1008.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-difluoro-N-tetradecyl-.
Sources
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