- InChI
- InChI=1S/C11H12ClNO/c1-8(2)6-11(14)13-10-5-3-4-9(12)7-10/h3-7H,1-2H3,(H,13,14)
- InChI Key
- DYNVGFUQFOJQAY-UHFFFAOYSA-N
- Formula
- C11H12ClNO
- SMILES
- CC(C)=CC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 209.67
- 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 | 0.5518 | Relay (... Calculated Property | |
| ΔfG° | 164.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -3.89 | Relay (... Calculated Property | |
| logPoct/wat | 3.245 | Crippen Calculated Property | |
| McVol | 161.580 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Inp | 1843.00 | NIST | |
| Tboil | 571.29 | K | Relay (... Calculated Property |
| Tc | 825.43 | K | Relay (... Calculated Property |
| Tfus | 375.11 | K | Relay (... Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.63; 440.43] | J/mol×K | [628.25; 857.64] | 
|
| Cp,gas | 375.63 | J/mol×K | 628.25 | Joback Calculated Property |
| Cp,gas | 388.53 | J/mol×K | 666.48 | Joback Calculated Property |
| Cp,gas | 400.52 | J/mol×K | 704.71 | Joback Calculated Property |
| Cp,gas | 411.64 | J/mol×K | 742.95 | Joback Calculated Property |
| Cp,gas | 421.95 | J/mol×K | 781.18 | Joback Calculated Property |
| Cp,gas | 431.53 | J/mol×K | 819.41 | Joback Calculated Property |
| Cp,gas | 440.43 | J/mol×K | 857.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(3-chlorophenyl)-3-methyl-.
Sources
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