- InChI
- InChI=1S/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2
- InChI Key
- IAHOUQOWMXVMEH-UHFFFAOYSA-N
- Formula
- C6H4N4O6
- SMILES
-
Nc1c([N+](=O)[O-])cc([N+](=O)[
O-])cc1[N+](=O)[O-] - Molecular Weight1
- 228.12
- CAS
- 489-98-5
- Other Names
-
- Aniline, 2,4,6-trinitro-
- Picramide
- 2,4,6-Trinitroaniline
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-2860.10; -2816.87] | kJ/mol |
|
| ΔcH°solid | -2860.10 | kJ/mol | NIST |
| ΔcH°solid | -2816.87 | kJ/mol | NIST |
| ΔfG° | 256.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.46 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-115.90; -72.80] | kJ/mol |
|
| ΔfH°solid | -72.80 | kJ/mol | NIST |
| ΔfH°solid | -115.90 | kJ/mol | NIST |
| ΔfusH° | 43.45 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 125.30 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 93.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 0.993 | Crippen Calculated Property | |
| McVol | 133.880 | ml/mol | McGowan Calculated Property |
| Pc | 4994.44 | kPa | Joback Calculated Property |
| Inp | 337.56 | NIST | |
| Tboil | 906.35 | K | Joback Calculated Property |
| Tc | 1204.38 | K | Joback Calculated Property |
| Tfus | 735.45 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.18; 389.64] | J/mol×K | [906.35; 1204.38] |
|
| Cp,gas | 365.18 | J/mol×K | 906.35 | Joback Calculated Property |
| Cp,gas | 371.25 | J/mol×K | 956.02 | Joback Calculated Property |
| Cp,gas | 376.44 | J/mol×K | 1005.69 | Joback Calculated Property |
| Cp,gas | 380.82 | J/mol×K | 1055.37 | Joback Calculated Property |
| Cp,gas | 384.44 | J/mol×K | 1105.04 | Joback Calculated Property |
| Cp,gas | 387.36 | J/mol×K | 1154.71 | Joback Calculated Property |
| Cp,gas | 389.64 | J/mol×K | 1204.38 | Joback Calculated Property |
| ΔsubH | 115.90 | kJ/mol | 349.50 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 2,4,6-trinitro-.
Sources
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