- InChI
- InChI=1S/C11H13Cl2NO/c1-11(2,3)10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)
- InChI Key
- WMFDYXPRRHDSQS-UHFFFAOYSA-N
- Formula
- C11H13Cl2NO
- SMILES
- CC(C)(C)C(=O)Nc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 246.13
- CAS
- 7160-22-7
- 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 | 0.5532 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.978 | Crippen Calculated Property | |
| McVol | 178.120 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Tboil | 563.22 | K | Relay (1.0) Calculated Property |
| Tc | 833.69 | K | Relay (1.0) Calculated Property |
| Tfus | 393.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.22; 486.69] | J/mol×K | [663.39; 896.72] | 
|
| Cp,gas | 424.22 | J/mol×K | 663.39 | Joback Calculated Property |
| Cp,gas | 436.83 | J/mol×K | 702.28 | Joback Calculated Property |
| Cp,gas | 448.48 | J/mol×K | 741.17 | Joback Calculated Property |
| Cp,gas | 459.23 | J/mol×K | 780.05 | Joback Calculated Property |
| Cp,gas | 469.13 | J/mol×K | 818.94 | Joback Calculated Property |
| Cp,gas | 478.27 | J/mol×K | 857.83 | Joback Calculated Property |
| Cp,gas | 486.69 | J/mol×K | 896.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichloropivalanilide.
Sources
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