Chemical Properties of p-Toluidine, 3,5-dinitro- (CAS 19406-51-0)

InChI

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

InChI Key

KQRJATLINVYHEZ-UHFFFAOYSA-N

Formula

C7H7N3O4

SMILES

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

Molecular Weight¹

197.15

CAS

19406-51-0

Other Names

• Benzenamine, 4-methyl-3,5-dinitro-
• 2,6-Dinitro-4-aminotoluene
• 3,5-Dinitro-4-methylaniline
• 4-Amino-2,6-dinitrotoluene
• 4-ADNT
• 4-Methyl-3,5-dinitrobenzenamine
• 4-Methyl-3,5-dinitrophenylamine
• 3,5-Dinitro-p-toluidine
• NSC 25010

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.7245		Relay (... Calculated Property
ΔfG°	229.13	kJ/mol	Joback Calculated Property
ΔfH°gas	57.41	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.68	kJ/mol	Joback Calculated Property
ΔvapH°	84.22	kJ/mol	Relay (... Calculated Property
IE	8.56	eV	Relay (... Calculated Property
log10WS	-3.09		Relay (... 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	[321.91; 321.91]
Inp	321.91		NIST
Inp	321.91		NIST
Tboil	584.16	K	Relay (... Calculated Property
Tc	868.93	K	Relay (... Calculated Property
Tfus	405.58	K	Relay (... Calculated Property
Vc	0.438	m3/kmol	Relay (... 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 p-Toluidine, 3,5-dinitro-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.