- InChI
- InChI=1S/C9H9N9O12/c1-10(16(25)26)4-7(13(19)20)5(11(2)17(27)28)9(15(23)24)6(8(4)14(21)22)12(3)18(29)30/h1-3H3
- InChI Key
- HHROXJLCXHZPFK-UHFFFAOYSA-N
- Formula
- C9H9N9O12
- SMILES
-
CN(c1c([N+](=O)[O-])c(N(C)[N+]
(=O)[O-])c([N+](=O)[O-])c(N(C) [N+](=O)[O-])c1[N+](=O)[O-])[N +](=O)[O-] - Molecular Weight1
- 435.22
- CAS
- 62030-37-9
- 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 | -4945.90 ± 9.60 | kJ/mol | NIST |
| ΔfG° | 634.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 88.12 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 118.10 ± 9.60 | kJ/mol | NIST |
| ΔfusH° | 88.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 146.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 0.295 | Crippen Calculated Property | |
| McVol | 248.370 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Tboil | 1405.26 | K | Joback Calculated Property |
| Tc | 1724.07 | K | Joback Calculated Property |
| Tfus | 1239.28 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.17; 818.29] | J/mol×K | [1405.26; 1724.07] | 
|
| Cp,gas | 788.17 | J/mol×K | 1405.26 | Joback Calculated Property |
| Cp,gas | 792.12 | J/mol×K | 1458.39 | Joback Calculated Property |
| Cp,gas | 796.23 | J/mol×K | 1511.53 | Joback Calculated Property |
| Cp,gas | 800.69 | J/mol×K | 1564.66 | Joback Calculated Property |
| Cp,gas | 805.72 | J/mol×K | 1617.80 | Joback Calculated Property |
| Cp,gas | 811.52 | J/mol×K | 1670.93 | Joback Calculated Property |
| Cp,gas | 818.29 | J/mol×K | 1724.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6,-Trinitro-1,3,5,-tris(methylnitramino)benzene.
Sources
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