Chemical Properties of Methyldinitramine (CAS 25346-05-8)

InChI

InChI=1S/CH3N3O4/c1-2(3(5)6)4(7)8/h1H3

InChI Key

AAIWMHUUYNFKAM-UHFFFAOYSA-N

Formula

CH3N3O4

SMILES

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

Molecular Weight¹

121.05

CAS

25346-05-8

• ω : Acentric Factor.
• 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_subH° : Enthalpy of sublimation 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	0.4919		Relay (1.0) Calculated Property
ΔcH°solid	-823.80 ± 0.70	kJ/mol	NIST
ΔfG°	139.42	kJ/mol	Joback Calculated Property
ΔfH°gas	[43.10; 53.50]	kJ/mol
ΔfH°gas	43.10 ± 6.30	kJ/mol	NIST
ΔfH°gas	53.50 ± 0.80	kJ/mol	NIST
ΔfH°liquid	1.70 ± 0.80	kJ/mol	NIST
ΔfH°solid	1.50 ± 0.70	kJ/mol	NIST
ΔfusH°	24.09	kJ/mol	Joback Calculated Property
ΔsubH°	52.00 ± 0.40	kJ/mol	NIST
ΔvapH°	41.40 ± 5.40	kJ/mol	NIST
IE	10.61	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	-0.698		Crippen Calculated Property
McVol	69.770	ml/mol	McGowan Calculated Property
Pc	5990.66	kPa	Joback Calculated Property
Tboil	436.92	K	Relay (1.0) Calculated Property
Tc	680.74	K	Relay (1.0) Calculated Property
Tfus	307.75	K	Relay (1.0) Calculated Property
Vc	0.289	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.55; 201.41]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.27000e+00
Coefficient B			4.21440e-01
Coefficient C			-3.00000e-04
Coefficient D			7.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.55	J/mol×K	273.00	Calculated Property
Cp,gas	117.26	J/mol×K	353.78	Calculated Property
Cp,gas	135.13	J/mol×K	434.56	Calculated Property
Cp,gas	150.42	J/mol×K	515.33	Calculated Property
Cp,gas	163.35	J/mol×K	596.11	Calculated Property
Cp,gas	174.18	J/mol×K	676.89	Calculated Property
Cp,gas	183.16	J/mol×K	757.67	Calculated Property
Cp,gas	190.53	J/mol×K	838.44	Calculated Property
Cp,gas	196.53	J/mol×K	919.22	Calculated Property
Cp,gas	201.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyldinitramine.

Sources

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

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