- InChI
- InChI=1S/C12H17Cl2N/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
- InChI Key
- DPGPWVSHZFFFDN-UHFFFAOYSA-N
- Formula
- C12H17Cl2N
- SMILES
- ClCCCN(CCCCl)c1ccccc1
- Molecular Weight1
- 246.18
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 249.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 3.751 | Crippen Calculated Property | |
| McVol | 190.640 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | [1913.00; 1913.00] |
|
|
| Inp | 1913.00 | NIST | |
| Inp | 1913.00 | NIST | |
| Tboil | 587.94 | K | Joback Calculated Property |
| Tc | 793.78 | K | Joback Calculated Property |
| Tfus | 343.73 | K | Joback Calculated Property |
| Vc | 0.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.05; 521.25] | J/mol×K | [587.94; 793.78] |
|
| Cp,gas | 442.05 | J/mol×K | 587.94 | Joback Calculated Property |
| Cp,gas | 457.53 | J/mol×K | 622.25 | Joback Calculated Property |
| Cp,gas | 472.03 | J/mol×K | 656.55 | Joback Calculated Property |
| Cp,gas | 485.60 | J/mol×K | 690.86 | Joback Calculated Property |
| Cp,gas | 498.30 | J/mol×K | 725.17 | Joback Calculated Property |
| Cp,gas | 510.16 | J/mol×K | 759.47 | Joback Calculated Property |
| Cp,gas | 521.25 | J/mol×K | 793.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, N,N-di(3-chloropropyl)-.
Sources
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