- InChI
- InChI=1S/C14H11Cl3N4O4/c15-14(16,17)13(18-9-1-5-11(6-2-9)20(22)23)19-10-3-7-12(8-4-10)21(24)25/h1-8,13,18-19H
- InChI Key
- WAIXKZLQJUGXPZ-UHFFFAOYSA-N
- Formula
- C14H11Cl3N4O4
- SMILES
-
O=[N+]([O-])c1ccc(NC(Nc2ccc([N
+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 - Molecular Weight1
- 405.62
- CAS
- 39809-83-1
- Other Names
-
- 2,2,2-Trichloro-n<1>,n<1>-bis(4-nitrophenyl)-1,1-ethanediamine
- 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).
- 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 | 0.8150 | Relay (1.0) Calculated Property | |
| ΔfG° | 487.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.723 | Crippen Calculated Property | |
| McVol | 252.120 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Tboil | 673.24 | K | Relay (1.0) Calculated Property |
| Tc | 1080.49 | K | Relay (1.0) Calculated Property |
| Tfus | 421.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.811 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.49; 753.16] | J/mol×K | [1095.68; 1384.10] | 
|
| Cp,gas | 708.49 | J/mol×K | 1095.68 | Joback Calculated Property |
| Cp,gas | 716.08 | J/mol×K | 1143.75 | Joback Calculated Property |
| Cp,gas | 723.33 | J/mol×K | 1191.82 | Joback Calculated Property |
| Cp,gas | 730.46 | J/mol×K | 1239.89 | Joback Calculated Property |
| Cp,gas | 737.67 | J/mol×K | 1287.96 | Joback Calculated Property |
| Cp,gas | 745.16 | J/mol×K | 1336.03 | Joback Calculated Property |
| Cp,gas | 753.16 | J/mol×K | 1384.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloro-n1,n1-bis(4-nitrophenyl)-1,1-ethanediamine.
Sources
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