- InChI
- InChI=1S/C9H8ClNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h2-6H,1H2,(H,11,12)
- InChI Key
- NZXQEWMZAUGCLB-UHFFFAOYSA-N
- Formula
- C9H8ClNO
- SMILES
- C=CC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 181.62
- CAS
- 7017-16-5
- 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 | 0.5260 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -57.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.464 | Crippen Calculated Property | |
| McVol | 133.400 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Tboil | 538.61 | K | Relay (1.0) Calculated Property |
| Tc | 809.02 | K | Relay (1.0) Calculated Property |
| Tfus | 338.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.83; 337.92] | J/mol×K | [575.13; 804.25] | 
|
| Cp,gas | 282.83 | J/mol×K | 575.13 | Joback Calculated Property |
| Cp,gas | 293.87 | J/mol×K | 613.32 | Joback Calculated Property |
| Cp,gas | 304.12 | J/mol×K | 651.50 | Joback Calculated Property |
| Cp,gas | 313.60 | J/mol×K | 689.69 | Joback Calculated Property |
| Cp,gas | 322.37 | J/mol×K | 727.88 | Joback Calculated Property |
| Cp,gas | 330.46 | J/mol×K | 766.07 | Joback Calculated Property |
| Cp,gas | 337.92 | J/mol×K | 804.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(m-chlorophenyl) acrylamine.
Sources
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