- InChI
- InChI=1S/C9H17Cl2NO/c1-2-3-4-5-6-12-9(13)8(11)7-10/h8H,2-7H2,1H3,(H,12,13)
- InChI Key
- OAOXXCNINOHVHX-UHFFFAOYSA-N
- Formula
- C9H17Cl2NO
- SMILES
- CCCCCCNC(=O)C(Cl)CCl
- Molecular Weight1
- 226.14
- 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 | 0.6153 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 173.700 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Inp | [1848.00; 1848.00] |
|
|
| Inp | 1848.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Tboil | 535.81 | K | Relay (1.0) Calculated Property |
| Tc | 763.85 | K | Relay (1.0) Calculated Property |
| Tfus | 312.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.76; 472.01] | J/mol×K | [583.78; 773.98] |
|
| Cp,gas | 404.76 | J/mol×K | 583.78 | Joback Calculated Property |
| Cp,gas | 417.54 | J/mol×K | 615.48 | Joback Calculated Property |
| Cp,gas | 429.67 | J/mol×K | 647.18 | Joback Calculated Property |
| Cp,gas | 441.15 | J/mol×K | 678.88 | Joback Calculated Property |
| Cp,gas | 452.03 | J/mol×K | 710.58 | Joback Calculated Property |
| Cp,gas | 462.31 | J/mol×K | 742.28 | Joback Calculated Property |
| Cp,gas | 472.01 | J/mol×K | 773.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionamide, 2,3-dichloro-N-hexyl-.
Sources
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