- InChI
- InChI=1S/C17H18ClNO/c1-2-3-5-13-8-10-14(11-9-13)17(20)19-16-7-4-6-15(18)12-16/h4,6-12H,2-3,5H2,1H3,(H,19,20)
- InChI Key
- HFAWWPRHBUTMKX-UHFFFAOYSA-N
- Formula
- C17H18ClNO
- SMILES
-
CCCCc1ccc(C(=O)Nc2cccc(Cl)c2)c
c1 - Molecular Weight1
- 287.78
- 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 | 0.7454 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.935 | Crippen Calculated Property | |
| McVol | 226.660 | ml/mol | McGowan Calculated Property |
| Pc | 2106.13 | kPa | Joback Calculated Property |
| Inp | [2611.00; 2611.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 654.16 | K | Relay (1.0) Calculated Property |
| Tc | 935.07 | K | Relay (1.0) Calculated Property |
| Tfus | 367.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.12; 693.86] | J/mol×K | [793.15; 1026.96] |
|
| Cp,gas | 623.12 | J/mol×K | 793.15 | Joback Calculated Property |
| Cp,gas | 637.51 | J/mol×K | 832.12 | Joback Calculated Property |
| Cp,gas | 650.76 | J/mol×K | 871.09 | Joback Calculated Property |
| Cp,gas | 662.95 | J/mol×K | 910.06 | Joback Calculated Property |
| Cp,gas | 674.15 | J/mol×K | 949.02 | Joback Calculated Property |
| Cp,gas | 684.43 | J/mol×K | 987.99 | Joback Calculated Property |
| Cp,gas | 693.86 | J/mol×K | 1026.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-4-butyl-.
Sources
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