Chemical Properties of Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro- (CAS 20062-22-0)

InChI

InChI=1S/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H/b2-1+

InChI Key

YSIBQULRFXITSW-OWOJBTEDSA-N

Formula

C14H6N6O12

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

Molecular Weight¹

450.23

CAS

20062-22-0

Other Names

• 1,1'-(1,2-Ethenediyl)bis(2,4,6-trinitrobenzene)
• 2,2',4,4',6,6'-hexanitrostilbene
• HNS
• HNS(2,2',4,4',6,6'-hexanitrostilbene)
• Stilbene, 2,2',4,4',6,6'-hexanitro-

• 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_subH : Enthalpy of sublimation 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
ΔcH°solid	[-6434.20; -6424.70]	kJ/mol
ΔcH°solid	-6434.20 ± 5.00	kJ/mol	NIST
ΔcH°solid	-6424.70 ± 4.50	kJ/mol	NIST
ΔfG°	527.56	kJ/mol	Joback Calculated Property
ΔfH°gas	238.40	kJ/mol	NIST
ΔfH°solid	[58.07; 68.00]	kJ/mol
ΔfH°solid	68.00 ± 10.00	kJ/mol	NIST
ΔfH°solid	58.07	kJ/mol	NIST
ΔfusH°	86.13	kJ/mol	Joback Calculated Property
ΔvapH°	154.79	kJ/mol	Joback Calculated Property
log10WS	-7.98		Crippen Calculated Property
logPoct/wat	3.306		Crippen Calculated Property
McVol	260.820	ml/mol	McGowan Calculated Property
Pc	2871.95	kPa	Joback Calculated Property
Tboil	1518.16	K	Joback Calculated Property
Tc	1863.76	K	Joback Calculated Property
Tfus	1232.08	K	Joback Calculated Property
Vc	1.075	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.16; 839.27]	J/mol×K	[1518.16; 1863.76]
Cp,gas	792.16	J/mol×K	1518.16	Joback Calculated Property
Cp,gas	797.45	J/mol×K	1575.76	Joback Calculated Property
Cp,gas	803.42	J/mol×K	1633.36	Joback Calculated Property
Cp,gas	810.33	J/mol×K	1690.96	Joback Calculated Property
Cp,gas	818.44	J/mol×K	1748.56	Joback Calculated Property
Cp,gas	828.00	J/mol×K	1806.16	Joback Calculated Property
Cp,gas	839.27	J/mol×K	1863.76	Joback Calculated Property
ΔsubH	179.90	kJ/mol	456.50	NIST

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-.

Mixtures

• Acetonitrile + Formamide, N,N-dimethyl- + Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-
• Formamide, N,N-dimethyl- + Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-

Sources

• Crippen Method
• Crippen Method
• Solubility of 2,2',4,4',6,6'-hexanitrostilbene in binary solvent of N,N-dimethylformamide and acetonitrile
• Joback Method
• McGowan Method
• NIST Webbook

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