- InChI
- InChI=1S/C9H10ClNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
- InChI Key
- FYQJUYCGPLFWQR-UHFFFAOYSA-N
- Formula
- C9H10ClNO
- SMILES
- O=C(NCCCl)c1ccccc1
- Molecular Weight1
- 183.63
- CAS
- 26385-07-9
- Other Names
-
- Benzamide, N-(2-chloroethyl)-
- 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).
- 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 | 0.5454 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.655 | Crippen Calculated Property | |
| McVol | 137.700 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Tboil | 563.26 | K | Relay (1.0) Calculated Property |
| Tc | 808.91 | K | Relay (1.0) Calculated Property |
| Tfus | 320.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.51; 364.29] | J/mol×K | [573.47; 796.67] | 
|
| Cp,gas | 303.51 | J/mol×K | 573.47 | Joback Calculated Property |
| Cp,gas | 315.62 | J/mol×K | 610.67 | Joback Calculated Property |
| Cp,gas | 326.88 | J/mol×K | 647.87 | Joback Calculated Property |
| Cp,gas | 337.34 | J/mol×K | 685.07 | Joback Calculated Property |
| Cp,gas | 347.04 | J/mol×K | 722.27 | Joback Calculated Property |
| Cp,gas | 356.01 | J/mol×K | 759.47 | Joback Calculated Property |
| Cp,gas | 364.29 | J/mol×K | 796.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-Chloroethyl)benzamide.
Sources
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