Chemical Properties of 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- (CAS 101-25-7)

InChI

InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2

InChI Key

MWRWFPQBGSZWNV-UHFFFAOYSA-N

Formula

C5H10N6O2

SMILES

O=NN1CN2CN(C1)CN(N=O)C2

Molecular Weight¹

186.17

CAS

101-25-7

Other Names

• 1,5-Methylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
• 1,5-endo-Methylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane
• 3,7-Di-N-nitrosopentamethylenetetramine
• 3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane
• Aceto DNPT 100
• Aceto DNPT 40
• Aceto DNPT 80
• CHKHZ 18
• Cellmic A 80
• Chempor N 90
• Chempor PC 65
• DNMPT
• DNPT
• Di-N-Nitrosopentamethylenetetramine
• Diasalt Bordeaux GP
• Dinitrosopentamethenetetramine
• Dinitrosopentamethylenetetraamine
• Dinitrosopentamethylenetetramine
• Dipentax
• Dnpmt
• Khempor N 90
• Micropor
• Mikrofor N
• N,N'-Dinitrosopentamethylenetetramine
• N,N-Dinitrosopentamethylenetetramine
• N1,N3-Dinitrosopentamethylenetetramine
• NSC 73599
• Opex
• Opex 93
• Pentamethylenetetramine, dinitroso-
• Porofor ChKhZ-18
• Porofor DNO/F
• Porofor chkhc-18
• Porophor B
• Unicel 100
• Unicel NDX
• Unicel-ND
• Vulcacel B-40
• Vulcacel BN
• Vulcacel BN 94

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6744		Relay (... Calculated Property
ΔcH°solid	[-3624.90; -3620.00]	kJ/mol
ΔcH°solid	-3624.90 ± 3.60	kJ/mol	NIST
ΔcH°solid	-3620.00	kJ/mol	NIST
ΔfG°	388.35	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	351.41	kJ/mol	Relay (... Calculated Property
ΔfH°solid	[185.60; 228.20]	kJ/mol
ΔfH°solid	228.20 ± 3.60	kJ/mol	NIST
ΔfH°solid	185.60	kJ/mol	NIST
ΔvapH°	81.80	kJ/mol	Relay (... Calculated Property
IE	8.10	eV	Relay (... Calculated Property
log10WS	-0.74		Relay (... Calculated Property
logPoct/wat	-0.628		Crippen Calculated Property
McVol	122.610	ml/mol	McGowan Calculated Property
Pc	3941.64	kPa	Relay (... Calculated Property ⚠️
Tboil	581.52	K	Relay (... Calculated Property
Tc	778.11	K	Relay (... Calculated Property
Tfus	464.50	K	Relay (... Calculated Property
Vc	0.493	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-.

Mixtures

• Acetonitrile + 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-
• 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- + Methyl Alcohol
• 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- + Acetone
• 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- + Dimethyl Sulfoxide
• Acetonitrile + 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- + Water
• 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- + Ethyl Acetate + Methyl Alcohol
• 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso- + Ethyl Acetate
• Ethane, 1,1-dichloro- + 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubility of 3,7-Dinitro-1,3,5,7-tetraazabicyclo [3.3.1] Nonane in Ethanenitrile, Methanol, 1,1-Dichloroethane, Dimethyl Sulfoxide, Acetone, and Mixed Solvents
• McGowan Method
• NIST Webbook

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