- InChI
- InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
- InChI Key
- YRMLFORXOOIJDR-UHFFFAOYSA-N
- Formula
- C8H11Cl2NO
- SMILES
- C=CCN(CC=C)C(=O)C(Cl)Cl
- Molecular Weight1
- 208.09
- 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 | 0.3939 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -142.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Aq. Solubility Prediction | |
| logPoct/wat | 1.991 | Crippen Calculated Property | |
| McVol | 151.010 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Tboil | 510.45 | K | Relay (1.0) Calculated Property |
| Tc | 712.69 | K | Relay (1.0) Calculated Property |
| Tfus | 278.65 | K | Aq. Solubility Prediction |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.79; 365.92] | J/mol×K | [516.53; 713.05] | 
|
| Cp,gas | 307.79 | J/mol×K | 516.53 | Joback Calculated Property |
| Cp,gas | 319.10 | J/mol×K | 549.28 | Joback Calculated Property |
| Cp,gas | 329.71 | J/mol×K | 582.04 | Joback Calculated Property |
| Cp,gas | 339.67 | J/mol×K | 614.79 | Joback Calculated Property |
| Cp,gas | 349.00 | J/mol×K | 647.55 | Joback Calculated Property |
| Cp,gas | 357.74 | J/mol×K | 680.30 | Joback Calculated Property |
| Cp,gas | 365.92 | J/mol×K | 713.05 | Joback Calculated Property |
Similar Compounds
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)
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