Chemical Properties of 2,2'-Dinitrobibenzyl (CAS 16968-19-7)

InChI

InChI=1S/C14H12N2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2

InChI Key

YBOZRPPSBVIHGJ-UHFFFAOYSA-N

Formula

C14H12N2O4

SMILES

O=[N+]([O-])c1ccccc1CCc1ccccc1[N+](=O)[O-]

Molecular Weight¹

272.26

CAS

16968-19-7

Other Names

• Benzene, 1,1'-(1,2-ethanediyl)bis[2-nitro-
• Bibenzyl, 2,2'-dinitro-
• Dinitro-2,2' dibenzyl
• o,o'-dinitrobibenzyl

• 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	0.7602		Relay (... Calculated Property
ΔfG°	343.66	kJ/mol	Joback Calculated Property
ΔfH°gas	136.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.04	kJ/mol	Joback Calculated Property
ΔvapH°	106.51	kJ/mol	Relay (... Calculated Property
IE	9.43	eV	Relay (... Calculated Property
log10WS	-4.87		Relay (... Calculated Property
logPoct/wat	3.288		Crippen Calculated Property
McVol	195.440	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
Inp	[372.85; 372.85]
Inp	372.85		NIST
Inp	372.85		NIST
Tboil	618.71	K	Relay (... Calculated Property
Tc	941.72	K	Relay (... Calculated Property
Tfus	359.41	K	Relay (... Calculated Property
Vc	0.684	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.16; 618.04]	J/mol×K	[886.72; 1163.96]
Cp,gas	565.16	J/mol×K	886.72	Joback Calculated Property
Cp,gas	576.51	J/mol×K	932.93	Joback Calculated Property
Cp,gas	586.69	J/mol×K	979.13	Joback Calculated Property
Cp,gas	595.81	J/mol×K	1025.34	Joback Calculated Property
Cp,gas	604.00	J/mol×K	1071.54	Joback Calculated Property
Cp,gas	611.37	J/mol×K	1117.75	Joback Calculated Property
Cp,gas	618.04	J/mol×K	1163.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-Dinitrobibenzyl.

Sources

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

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