Chemical Properties of Benzene, 1,1',1''-methylidynetris[4-nitro- (CAS 603-49-6)

InChI

InChI=1S/C19H13N3O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12,19H

InChI Key

GFDFIMKBMBRKCK-UHFFFAOYSA-N

Formula

C19H13N3O6

SMILES

O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1

Molecular Weight¹

379.32

CAS

603-49-6

Other Names

• Tris(p-nitrophenyl)methane
• Tris(4-nitrophenyl)methane
• Tri-p-nitrophenylmethane
• Trinitrotriphenylmethane

• 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°_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).
• 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
ΔcH°solid	[-9509.80; -9509.80]	kJ/mol
ΔcH°solid	-9509.80	kJ/mol	NIST
ΔcH°solid	-9509.80	kJ/mol	NIST
ΔfG°	521.65	kJ/mol	Joback Calculated Property
ΔfH°gas	202.13	kJ/mol	Joback Calculated Property
ΔfH°solid	[137.00; 175.00]	kJ/mol
ΔfH°solid	175.00	kJ/mol	NIST
ΔfH°solid	137.00	kJ/mol	NIST
ΔfusH°	56.48	kJ/mol	Joback Calculated Property
ΔvapH°	116.09	kJ/mol	Joback Calculated Property
log10WS	-7.20		Crippen Calculated Property
logPoct/wat	4.591		Crippen Calculated Property
McVol	259.550	ml/mol	McGowan Calculated Property
Pc	2379.54	kPa	Joback Calculated Property
Tboil	1184.18	K	Joback Calculated Property
Tc	1491.29	K	Joback Calculated Property
Tfus	836.54	K	Joback Calculated Property
Vc	1.016	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.92; 850.40]	J/mol×K	[1184.18; 1491.29]
Cp,gas	809.92	J/mol×K	1184.18	Joback Calculated Property
Cp,gas	817.49	J/mol×K	1235.36	Joback Calculated Property
Cp,gas	824.44	J/mol×K	1286.55	Joback Calculated Property
Cp,gas	830.98	J/mol×K	1337.73	Joback Calculated Property
Cp,gas	837.34	J/mol×K	1388.92	Joback Calculated Property
Cp,gas	843.74	J/mol×K	1440.10	Joback Calculated Property
Cp,gas	850.40	J/mol×K	1491.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1',1''-methylidynetris[4-nitro-.

Sources

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

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