Chemical Properties of Benzenamine, 2-methyl-3,5-dinitro- (CAS 35572-78-2)

InChI

InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3

InChI Key

IEEJAAUSLQCGJH-UHFFFAOYSA-N

Formula

C7H7N3O4

SMILES

Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]

Molecular Weight¹

197.15

CAS

35572-78-2

Other Names

• 2-Amino-4,6-dinitrotoluene
• 2,4-Dinitro-6-aminotoluene
• 3,5-Dinitro-o-toluidine
• 2-Methyl-3,5-dinitroaniline
• o-Toluidine, 3,5-dinitro-
• 2-Adnt
• 2-Methyl-3,5-dinitrobenzenamine

• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• 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°	229.13	kJ/mol	Joback Calculated Property
ΔfH°gas	26.58	kJ/mol	Joback Calculated Property
ΔfusH°	34.68	kJ/mol	Joback Calculated Property
ΔvapH°	79.26	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	1.394		Crippen Calculated Property
McVol	130.550	ml/mol	McGowan Calculated Property
Pc	4311.22	kPa	Joback Calculated Property
Inp	[330.74; 330.74]
Inp	330.74		NIST
Inp	330.74		NIST
Tboil	777.39	K	Joback Calculated Property
Tc	1055.29	K	Joback Calculated Property
Tfus	603.11	K	Joback Calculated Property
Vc	0.512	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.91; 387.28]	J/mol×K	[777.39; 1055.29]
Cp,gas	345.91	J/mol×K	777.39	Joback Calculated Property
Cp,gas	354.86	J/mol×K	823.71	Joback Calculated Property
Cp,gas	362.94	J/mol×K	870.02	Joback Calculated Property
Cp,gas	370.17	J/mol×K	916.34	Joback Calculated Property
Cp,gas	376.61	J/mol×K	962.66	Joback Calculated Property
Cp,gas	382.30	J/mol×K	1008.97	Joback Calculated Property
Cp,gas	387.28	J/mol×K	1055.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2-methyl-3,5-dinitro-.

Sources

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

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