Chemical Properties of Methanediamine, N,N'-dimethyl-N,N'-dinitro- (CAS 13232-00-3)

InChI

InChI=1S/C3H8N4O4/c1-4(6(8)9)3-5(2)7(10)11/h3H2,1-2H3

InChI Key

QKVCTKJCIMPZEI-UHFFFAOYSA-N

Formula

C3H8N4O4

SMILES

CN(CN(C)[N+](=O)[O-])[N+](=O)[O-]

Molecular Weight¹

164.12

CAS

13232-00-3

• 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	267.04	kJ/mol	Joback Calculated Property
ΔfH°gas	8.29	kJ/mol	Joback Calculated Property
ΔfH°solid	[-36.60; -29.80]	kJ/mol
ΔfH°solid	-29.80 ± 2.30	kJ/mol	NIST
ΔfH°solid	-36.60	kJ/mol	NIST
ΔfusH°	32.29	kJ/mol	Joback Calculated Property
ΔvapH°	59.54	kJ/mol	Joback Calculated Property
log10WS	-0.86		Crippen Calculated Property
logPoct/wat	-0.809		Crippen Calculated Property
McVol	107.930	ml/mol	McGowan Calculated Property
Pc	4528.58	kPa	Joback Calculated Property
Tboil	596.60	K	Joback Calculated Property
Tc	830.82	K	Joback Calculated Property
Tfus	475.73	K	Joback Calculated Property
Vc	0.404	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.39; 320.47]	J/mol×K	[596.60; 830.82]
Cp,gas	272.39	J/mol×K	596.60	Joback Calculated Property
Cp,gas	282.19	J/mol×K	635.64	Joback Calculated Property
Cp,gas	291.21	J/mol×K	674.67	Joback Calculated Property
Cp,gas	299.50	J/mol×K	713.71	Joback Calculated Property
Cp,gas	307.11	J/mol×K	752.75	Joback Calculated Property
Cp,gas	314.08	J/mol×K	791.78	Joback Calculated Property
Cp,gas	320.47	J/mol×K	830.82	Joback Calculated Property
ΔfusH	16.36	kJ/mol	330.20	NIST

Similar Compounds

Find more compounds similar to Methanediamine, N,N'-dimethyl-N,N'-dinitro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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