- InChI
- InChI=1S/C16H31Cl2NO/c1-3-5-7-9-11-13-19(16(20)15(17)18)14-12-10-8-6-4-2/h15H,3-14H2,1-2H3
- InChI Key
- DTFJMKGUYWLTPF-UHFFFAOYSA-N
- Formula
- C16H31Cl2NO
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)C(Cl)Cl
- Molecular Weight1
- 324.33
- 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 | 0.8143 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.559 | Crippen Calculated Property | |
| McVol | 272.330 | ml/mol | McGowan Calculated Property |
| Pc | 1313.70 | kPa | Joback Calculated Property |
| Inp | 2086.00 | NIST | |
| Tboil | 590.16 | K | Relay (1.0) Calculated Property |
| Tc | 797.44 | K | Relay (1.0) Calculated Property |
| Tfus | 289.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.013 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.03; 844.50] | J/mol×K | [706.21; 884.39] | 
|
| Cp,gas | 755.03 | J/mol×K | 706.21 | Joback Calculated Property |
| Cp,gas | 771.97 | J/mol×K | 735.91 | Joback Calculated Property |
| Cp,gas | 788.05 | J/mol×K | 765.60 | Joback Calculated Property |
| Cp,gas | 803.31 | J/mol×K | 795.30 | Joback Calculated Property |
| Cp,gas | 817.78 | J/mol×K | 825.00 | Joback Calculated Property |
| Cp,gas | 831.50 | J/mol×K | 854.69 | Joback Calculated Property |
| Cp,gas | 844.50 | J/mol×K | 884.39 | Joback Calculated Property |
Similar Compounds
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Sources
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