- InChI
- InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-23(26)21-17-16-18-22(24)20-21/h16-18,20H,2-15,19H2,1H3,(H,25,26)
- InChI Key
- PKYDZPWVBOLOKP-UHFFFAOYSA-N
- Formula
- C23H38ClNO
- SMILES
-
CCCCCCCCCCCCCCCCN=C(O)c1cccc(C
l)c1 - Molecular Weight1
- 380.01
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 1.1934 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -481.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 144.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.126 | Crippen Calculated Property | |
| McVol | 334.960 | ml/mol | McGowan Calculated Property |
| Pc | 1004.62 | kPa | Joback Calculated Property |
| Inp | [3113.00; 3113.00] |
|
|
| Inp | 3113.00 | NIST | |
| Inp | 3113.00 | NIST | |
| Tboil | 680.44 | K | Relay (1.0) Calculated Property |
| Tc | 899.33 | K | Relay (1.0) Calculated Property |
| Tfus | 358.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.245 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-N-hexadecyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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