- InChI
- InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
- InChI Key
- CBCIHIVRDWLAME-UHFFFAOYSA-N
- Formula
- C12H5N7O12
- SMILES
-
O=[N+]([O-])c1cc([N+](=O)[O-])
c(Nc2c([N+](=O)[O-])cc([N+](=O )[O-])cc2[N+](=O)[O-])c([N+](= O)[O-])c1 - Molecular Weight1
- 439.21
- CAS
- 131-73-7
- Other Names
-
- Hexanitrodiphenylamine
- 2,2',4,4',6,6'-Hexanitrodiphenylamine
- Benzenamine, 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)-
- Bis(2,4,6-trinitrophenyl)amine
- Hexyl
- Bis(2,4,6-trinitro-phenyl)-amin
- Diphenylamine, hexanitro-
- Diphenylamine, 2,2',4,4',6,6'-hexanitro-
- Esanitrodifenilamina
- Hexamine
- Hexamine (potassium reagent)
- Hexanitrodifenylamine
- Hexyl (reagent)
- 2,4,6-Trinitro-N-(2,4,6-trinitrophenyl)benzenamine
- 2,4,6,2',4',6'-Hexanitrodiphenylamine
- Aurantia
- C.I. 10360
- Dipikrylamin
- 2,2',4,4',6,6'-Hexanitrodifenylamin
- Hexil
- Hexite
- NSC 1786
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-5512.96; -5481.29] | kJ/mol |
|
| ΔcH°solid | -5481.29 | kJ/mol | NIST |
| ΔcH°solid | -5512.96 | kJ/mol | NIST |
| ΔfG° | 519.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 102.14 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [44.56; 76.27] | kJ/mol |
|
| ΔfH°solid | 44.56 | kJ/mol | NIST |
| ΔfH°solid | 76.27 | kJ/mol | NIST |
| ΔfusH° | 85.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 156.81 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 2.879 | Crippen Calculated Property | |
| McVol | 246.920 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Tboil | 1518.41 | K | Joback Calculated Property |
| Tc | 1863.30 | K | Joback Calculated Property |
| Tfus | 1267.28 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.92; 723.31] | J/mol×K | [1518.41; 1863.30] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 712 714 716 718 720 722 724 1600 1700 1800 | ||||
| Cp,gas | 723.31 | J/mol×K | 1518.41 | Joback Calculated Property |
| Cp,gas | 721.45 | J/mol×K | 1575.89 | Joback Calculated Property |
| Cp,gas | 719.33 | J/mol×K | 1633.37 | Joback Calculated Property |
| Cp,gas | 717.14 | J/mol×K | 1690.85 | Joback Calculated Property |
| Cp,gas | 715.05 | J/mol×K | 1748.33 | Joback Calculated Property |
| Cp,gas | 713.25 | J/mol×K | 1805.82 | Joback Calculated Property |
| Cp,gas | 711.92 | J/mol×K | 1863.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dipicrylamine.
Sources
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