- InChI
- InChI=1S/C11H21Cl2NO/c1-3-5-6-9(4-2)8-14-11(15)10(13)7-12/h9-10H,3-8H2,1-2H3,(H,14,15)
- InChI Key
- LXFBOZXJIOYERU-UHFFFAOYSA-N
- Formula
- C11H21Cl2NO
- SMILES
- CCCCC(CC)CNC(=O)C(Cl)CCl
- Molecular Weight1
- 254.20
- 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 | 0.6263 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.165 | Crippen Calculated Property | |
| McVol | 201.880 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | [1752.00; 1752.00] |
|
|
| Inp | 1752.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Tboil | 550.52 | K | Relay (1.0) Calculated Property |
| Tc | 776.57 | K | Relay (1.0) Calculated Property |
| Tfus | 294.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.06; 579.34] | J/mol×K | [629.10; 818.52] |
|
| Cp,gas | 504.06 | J/mol×K | 629.10 | Joback Calculated Property |
| Cp,gas | 518.40 | J/mol×K | 660.67 | Joback Calculated Property |
| Cp,gas | 531.99 | J/mol×K | 692.24 | Joback Calculated Property |
| Cp,gas | 544.85 | J/mol×K | 723.81 | Joback Calculated Property |
| Cp,gas | 557.02 | J/mol×K | 755.38 | Joback Calculated Property |
| Cp,gas | 568.50 | J/mol×K | 786.95 | Joback Calculated Property |
| Cp,gas | 579.34 | J/mol×K | 818.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionamide, 2,3-dichloro-N-2-ethylhexyl-.
Sources
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