- InChI
- InChI=1S/C21H33ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-21(25)18-15-14-16-19(22)20(18)23/h14-16H,2-13,17H2,1H3,(H,24,25)
- InChI Key
- GSHQDUXVHZMJFI-UHFFFAOYSA-N
- Formula
- C21H33ClFNO
- SMILES
-
CCCCCCCCCCCCCCNC(=O)c1cccc(Cl)
c1F - Molecular Weight1
- 369.94
- 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 | 1.0054 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.910 | Crippen Calculated Property | |
| McVol | 308.550 | ml/mol | McGowan Calculated Property |
| Pc | 1157.71 | kPa | Joback Calculated Property |
| Inp | [2822.00; 2822.00] |
|
|
| Inp | 2822.00 | NIST | |
| Inp | 2822.00 | NIST | |
| Tboil | 644.11 | K | Relay (1.0) Calculated Property |
| Tc | 886.31 | K | Relay (1.0) Calculated Property |
| Tfus | 342.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.149 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [954.47; 1039.98] | J/mol×K | [857.26; 1055.17] |
|
| Cp,gas | 954.47 | J/mol×K | 857.26 | Joback Calculated Property |
| Cp,gas | 971.10 | J/mol×K | 890.25 | Joback Calculated Property |
| Cp,gas | 986.71 | J/mol×K | 923.23 | Joback Calculated Property |
| Cp,gas | 1001.35 | J/mol×K | 956.22 | Joback Calculated Property |
| Cp,gas | 1015.08 | J/mol×K | 989.20 | Joback Calculated Property |
| Cp,gas | 1027.94 | J/mol×K | 1022.19 | Joback Calculated Property |
| Cp,gas | 1039.98 | J/mol×K | 1055.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-tetradecyl-.
Sources
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