Chemical Properties of N-Nitrobis(2-hydroxyethyl)-amine dinitrate (CAS 4185-47-1)

InChI

InChI=1S/C4H8N4O8/c9-6(10)5(1-3-15-7(11)12)2-4-16-8(13)14/h1-4H2

InChI Key

NZDNCDGEHXHPCO-UHFFFAOYSA-N

Formula

C4H8N4O8

SMILES

O=[N+]([O-])OCCN(CCO[N+](=O)[O-])[N+](=O)[O-]

Molecular Weight¹

240.13

CAS

4185-47-1

Other Names

• Ethanol, 2,2'-nitroiminodi-, dinitrate
• Diethanolnitramine dinitrate
• Diethanol-N-nitramine dinitrate
• DINA
• 2,2'-Dinitrato-N-nitrodiethylamine
• sym-Dinitroxydiethylnitramine
• Ethanol, 2,2'-(nitroimino)bis-, dinitrate
• Nitrodiethanolamine dinitrate
• N-Nitrodiethanolamine dinitrate
• 2,2'-Nitroiminobis(ethylnitrate)
• 2,2'-Nitroiminodiethanol nitrate
• 2,2'-(Nitroimino)ethanol dinitrate
• DINA (explosive)
• Ethanol, 2,2'-(nitroimino)bis-, dinitrate (ester)

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.8428		Relay (1.0) Calculated Property
ΔcH°liquid	-2459.90	kJ/mol	NIST
ΔcH°solid	[-2410.60; -2400.00]	kJ/mol
ΔcH°solid	-2400.00	kJ/mol	NIST
ΔcH°solid	-2410.60 ± 1.50	kJ/mol	NIST
ΔcH°solid	-2407.00	kJ/mol	NIST
ΔcH°solid	-2409.90	kJ/mol	NIST
ΔfG°	-9.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-155.17	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-257.42; -224.00]	kJ/mol
ΔfH°liquid	-257.42	kJ/mol	NIST
ΔfH°liquid	-224.00	kJ/mol	NIST
ΔfH°liquid	-224.00	kJ/mol	NIST
ΔfH°solid	[-311.00; -306.80]	kJ/mol
ΔfH°solid	-306.80 ± 1.50	kJ/mol	NIST
ΔfH°solid	-311.00	kJ/mol	NIST
ΔfH°solid	-307.50	kJ/mol	NIST
ΔfusH°	45.60	kJ/mol	Joback Calculated Property
ΔvapH°	91.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.73	eV	Relay (1.0) Calculated Property
log10WS	-2.08		Relay (1.0) Calculated Property
logPoct/wat	-1.103		Crippen Calculated Property
McVol	141.200	ml/mol	McGowan Calculated Property
Pc	3896.50	kPa	Joback Calculated Property
Tboil	523.03	K	Relay (1.0) Calculated Property
Tc	743.96	K	Relay (1.0) Calculated Property
Tfus	324.63	K	Relay (1.0) Calculated Property
Vc	0.515	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[407.87; 444.27]	J/mol×K	[803.72; 1049.18]
Cp,gas	407.87	J/mol×K	803.72	Joback Calculated Property
Cp,gas	416.08	J/mol×K	844.63	Joback Calculated Property
Cp,gas	423.42	J/mol×K	885.54	Joback Calculated Property
Cp,gas	429.90	J/mol×K	926.45	Joback Calculated Property
Cp,gas	435.53	J/mol×K	967.36	Joback Calculated Property
Cp,gas	440.31	J/mol×K	1008.27	Joback Calculated Property
Cp,gas	444.27	J/mol×K	1049.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Nitrobis(2-hydroxyethyl)-amine dinitrate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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