- InChI
- InChI=1S/C4H6N6O8/c11-7(12)4(8(13)14)1-5(9(15)16)3-6(2-4)10(17)18/h1-3H2
- InChI Key
- NOEKJIBAIMWJEB-UHFFFAOYSA-N
- Formula
- C4H6N6O8
- SMILES
-
O=[N+]([O-])N1CN([N+](=O)[O-])
CC([N+](=O)[O-])([N+](=O)[O-]) C1 - Molecular Weight1
- 266.13
- CAS
- 81360-42-1
- Other Names
-
- 1,3,5,5-Tetranitrohexahydropyrimidine
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°solid | 0.40 | kJ/mol | NIST |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | -1.805 | Crippen Calculated Property | |
| McVol | 146.000 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 29.37 | kJ/mol | 430.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1,3,5-Tetranitrohexahydropyrimidine.
Sources
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