- InChI
- InChI=1S/C23H37ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-23(27)20-17-16-18-21(24)22(20)25/h16-18H,2-15,19H2,1H3,(H,26,27)
- InChI Key
- ISBMVGQXSBDCTH-UHFFFAOYSA-N
- Formula
- C23H37ClFNO
- SMILES
-
CCCCCCCCCCCCCCCCNC(=O)c1cccc(C
l)c1F - Molecular Weight1
- 398.00
- 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 | 1.0771 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.690 | Crippen Calculated Property | |
| McVol | 336.730 | ml/mol | McGowan Calculated Property |
| Pc | 1020.08 | kPa | Joback Calculated Property |
| Inp | [3032.00; 3032.00] |
|
|
| Inp | 3032.00 | NIST | |
| Inp | 3032.00 | NIST | |
| Tboil | 657.38 | K | Relay (1.0) Calculated Property |
| Tc | 900.15 | K | Relay (1.0) Calculated Property |
| Tfus | 346.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.258 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.82; 1164.71] | J/mol×K | [903.02; 1106.63] |
|
| Cp,gas | 1075.82 | J/mol×K | 903.02 | Joback Calculated Property |
| Cp,gas | 1093.18 | J/mol×K | 936.96 | Joback Calculated Property |
| Cp,gas | 1109.44 | J/mol×K | 970.89 | Joback Calculated Property |
| Cp,gas | 1124.67 | J/mol×K | 1004.83 | Joback Calculated Property |
| Cp,gas | 1138.92 | J/mol×K | 1038.76 | Joback Calculated Property |
| Cp,gas | 1152.24 | J/mol×K | 1072.70 | Joback Calculated Property |
| Cp,gas | 1164.71 | J/mol×K | 1106.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-hexadecyl-.
Sources
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