Chemical Properties of 3-Nitraza-1,5-pentanediisocyanate (CAS 7046-61-9)

3-Nitraza-1,5-pentanediisocyanate

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InChI
InChI=1S/C6H8N4O4/c11-5-7-1-3-9(10(13)14)4-2-8-6-12/h1-4H2
InChI Key
PMZAXZNFRDOMGE-UHFFFAOYSA-N
Formula
C6H8N4O4
SMILES
O=C=NCCN(CCN=C=O)[N+](=O)[O-]
Molecular Weight1
200.15
CAS
7046-61-9
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3242.35 kJ/mol NIST
Δfgas -121.22 kJ/mol Joback Calculated Property
Δfsolid -142.10 ± 2.90 kJ/mol NIST
Δvap 66.65 kJ/mol Joback Calculated Property
logPoct/wat -0.85 Crippen Calculated Property
Pc 3736.23 kPa Joback Calculated Property
Tboil 634.30 K Joback Calculated Property
Tc 847.51 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 2
-N= 2
-NO2 1
-CH2- 4
>N- 1
=O 2

Similar Compounds

Piperazine, 1,4-dinitro-. Di-n-butylnitramine. Acetamide, N,N'-ethylenebis(N-nitro-. Imidazoline, 1,3-dinitro-. Piperazine, 1-nitroso-. Piperazine, 1,4-dinitroso-. N-Nitrobis(2-hydroxyethyl)-amine dinitrate. Piperazine, 1-methyl-4-nitroso-. Ethanol, 2-(butylnitroamino)-, nitrate. 1,3-Dinitro-1,3-diazacyclohexane. 1,3-Dinitro-2-imidazolidinone. 1,3-Dinitro-1,3-diazacycloheptane. N,N',N"-Trinitro-1,3,5-triazacycloheptane. Pyrrolidine, 1-nitroso-. 1-Butanamine, N-ethyl-N-nitroso-.

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