- InChI
- InChI=1S/C7H13Cl2NO/c1-5(2)4-10-7(11)6(9)3-8/h5-6H,3-4H2,1-2H3,(H,10,11)
- InChI Key
- XXMYXWLLRMCYII-UHFFFAOYSA-N
- Formula
- C7H13Cl2NO
- SMILES
- CC(C)CNC(=O)C(Cl)CCl
- Molecular Weight1
- 198.09
- 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).
- 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 | 0.5084 | Relay (1.0) Calculated Property | |
| ΔfG° | -60.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.605 | Crippen Calculated Property | |
| McVol | 145.520 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | [1503.00; 1503.00] |
|
|
| Inp | 1503.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Tboil | 499.33 | K | Relay (1.0) Calculated Property |
| Tc | 720.20 | K | Relay (1.0) Calculated Property |
| Tfus | 315.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.83; 372.67] | J/mol×K | [537.58; 736.75] |
|
| Cp,gas | 312.83 | J/mol×K | 537.58 | Joback Calculated Property |
| Cp,gas | 324.27 | J/mol×K | 570.78 | Joback Calculated Property |
| Cp,gas | 335.10 | J/mol×K | 603.97 | Joback Calculated Property |
| Cp,gas | 345.34 | J/mol×K | 637.17 | Joback Calculated Property |
| Cp,gas | 355.00 | J/mol×K | 670.36 | Joback Calculated Property |
| Cp,gas | 364.10 | J/mol×K | 703.56 | Joback Calculated Property |
| Cp,gas | 372.67 | J/mol×K | 736.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionamide, 2,3-dichloro-N-isobutyl-.
Sources
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