- InChI
- InChI=1S/C25H41ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-25(29)22-19-18-20-23(26)24(22)27/h18-20H,2-17,21H2,1H3,(H,28,29)
- InChI Key
- PAGUVOAJXUZXIO-UHFFFAOYSA-N
- Formula
- C25H41ClFNO
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=O)c1cccc
(Cl)c1F - Molecular Weight1
- 426.05
- 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 | 1.1480 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.470 | Crippen Calculated Property | |
| McVol | 364.910 | ml/mol | McGowan Calculated Property |
| Pc | 905.61 | kPa | Joback Calculated Property |
| Inp | [3240.00; 3240.00] |
|
|
| Inp | 3240.00 | NIST | |
| Inp | 3240.00 | NIST | |
| Tboil | 670.34 | K | Relay (1.0) Calculated Property |
| Tc | 912.99 | K | Relay (1.0) Calculated Property |
| Tfus | 349.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.367 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1199.81; 1292.66] | J/mol×K | [948.78; 1161.70] |
|
| Cp,gas | 1199.81 | J/mol×K | 948.78 | Joback Calculated Property |
| Cp,gas | 1218.05 | J/mol×K | 984.27 | Joback Calculated Property |
| Cp,gas | 1235.09 | J/mol×K | 1019.75 | Joback Calculated Property |
| Cp,gas | 1250.99 | J/mol×K | 1055.24 | Joback Calculated Property |
| Cp,gas | 1265.84 | J/mol×K | 1090.73 | Joback Calculated Property |
| Cp,gas | 1279.70 | J/mol×K | 1126.21 | Joback Calculated Property |
| Cp,gas | 1292.66 | J/mol×K | 1161.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-octadecyl-.
Sources
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