Chemical Properties of 1,1'-ETHYLENEBIS(2-NITROBENZENE)

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

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	136.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.04	kJ/mol	Joback Calculated Property
ΔvapH°	106.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	3.288		Crippen Calculated Property
McVol	195.440	ml/mol	McGowan Calculated Property
Inp	[372.85; 372.85]
Inp	372.85		NIST
Inp	372.85		NIST
Tboil	618.71	K	Relay (1.0) Calculated Property
Tfus	358.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.40; 590.93]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.80680e+01
Coefficient B			1.25572e+00
Coefficient C			-8.22920e-04
Coefficient D			1.96200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.40	J/mol×K	273.00	Calculated Property
Cp,gas	311.87	J/mol×K	353.78	Calculated Property
Cp,gas	368.31	J/mol×K	434.56	Calculated Property
Cp,gas	417.36	J/mol×K	515.33	Calculated Property
Cp,gas	459.62	J/mol×K	596.11	Calculated Property
Cp,gas	495.72	J/mol×K	676.89	Calculated Property
Cp,gas	526.28	J/mol×K	757.67	Calculated Property
Cp,gas	551.92	J/mol×K	838.44	Calculated Property
Cp,gas	573.27	J/mol×K	919.22	Calculated Property
Cp,gas	590.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-ETHYLENEBIS(2-NITROBENZENE).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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