- InChI
- InChI=1S/C8H15Cl2NO/c1-6(2)3-4-11-8(12)7(10)5-9/h6-7H,3-5H2,1-2H3,(H,11,12)
- InChI Key
- KFBUGZALPNZPDM-UHFFFAOYSA-N
- Formula
- C8H15Cl2NO
- SMILES
- CC(C)CCNC(=O)C(Cl)CCl
- Molecular Weight1
- 212.12
- 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 | 0.5423 | Relay (1.0) Calculated Property | |
| ΔfG° | -51.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.995 | Crippen Calculated Property | |
| McVol | 159.610 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | [1630.00; 1630.00] |
|
|
| Inp | 1630.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Tboil | 518.42 | K | Relay (1.0) Calculated Property |
| Tc | 742.81 | K | Relay (1.0) Calculated Property |
| Tfus | 307.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.13; 422.61] | J/mol×K | [560.46; 756.90] |
|
| Cp,gas | 358.13 | J/mol×K | 560.46 | Joback Calculated Property |
| Cp,gas | 370.44 | J/mol×K | 593.20 | Joback Calculated Property |
| Cp,gas | 382.10 | J/mol×K | 625.94 | Joback Calculated Property |
| Cp,gas | 393.13 | J/mol×K | 658.68 | Joback Calculated Property |
| Cp,gas | 403.54 | J/mol×K | 691.42 | Joback Calculated Property |
| Cp,gas | 413.36 | J/mol×K | 724.16 | Joback Calculated Property |
| Cp,gas | 422.61 | J/mol×K | 756.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionamide, 2,3-dichloro-N-3-methylbutyl-.
Sources
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