- InChI
- InChI=1S/C6H5N5O6/c7-8-6-4(10(14)15)1-3(9(12)13)2-5(6)11(16)17/h1-2,8H,7H2
- InChI Key
- HCTZYGGLKQYBKK-UHFFFAOYSA-N
- Formula
- C6H5N5O6
- SMILES
-
NNc1c([N+](=O)[O-])cc([N+](=O)
[O-])cc1[N+](=O)[O-] - Molecular Weight1
- 243.13
- CAS
- 653-49-6
- Other Names
-
- Hydrazine, (2,4,6-trinitrophenyl)-
- 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 | [-3116.60; -3112.10] | kJ/mol |
|
| ΔcH°solid | -3112.10 | kJ/mol | NIST |
| ΔcH°solid | -3116.60 | kJ/mol | NIST |
| ΔfG° | 345.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.93 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [36.50; 40.90] | kJ/mol |
|
| ΔfH°solid | 36.50 | kJ/mol | NIST |
| ΔfH°solid | 40.90 | kJ/mol | NIST |
| ΔfusH° | 48.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 0.697 | Crippen Calculated Property | |
| McVol | 143.860 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Tboil | 956.52 | K | Joback Calculated Property |
| Tc | 1247.69 | K | Joback Calculated Property |
| Tfus | 788.11 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.71; 429.76] | J/mol×K | [956.52; 1247.69] |
|
| Cp,gas | 407.71 | J/mol×K | 956.52 | Joback Calculated Property |
| Cp,gas | 413.32 | J/mol×K | 1005.05 | Joback Calculated Property |
| Cp,gas | 418.08 | J/mol×K | 1053.58 | Joback Calculated Property |
| Cp,gas | 422.04 | J/mol×K | 1102.11 | Joback Calculated Property |
| Cp,gas | 425.26 | J/mol×K | 1150.64 | Joback Calculated Property |
| Cp,gas | 427.81 | J/mol×K | 1199.17 | Joback Calculated Property |
| Cp,gas | 429.76 | J/mol×K | 1247.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trinitrophenyl-hydrazine.
Sources
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