Chemical Properties of Benzene, 1-nitro-4-(phenylmethyl)-

InChI

InChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

IDSGFSCSMXRJON-UHFFFAOYSA-N

Formula

C13H11NO2

SMILES

O=[N+]([O-])c1ccc(Cc2ccccc2)cc1

Molecular Weight¹

213.24

Other Names

• Methane, (p-nitrophenyl)phenyl-
• (p-Nitrophenyl)phenylmethane
• p-Nitrodiphenylmethane
• 4-Nitrodiphenylmethane

• ω : Acentric Factor.
• 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).
• 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	0.5822		Relay (1.0) Calculated Property
ΔfH°gas	164.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.48	kJ/mol	Joback Calculated Property
ΔvapH°	91.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.35 ± 0.05	eV	NIST
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	3.186		Crippen Calculated Property
McVol	163.930	ml/mol	McGowan Calculated Property
Pc	3062.55	kPa	Joback Calculated Property
Inp	[1893.30; 1933.00]
Inp	1893.30		NIST
Inp	1933.00		NIST
Inp	1933.00		NIST
Inp	1893.30		NIST
Tboil	619.58	K	Relay (1.0) Calculated Property
Tc	884.00	K	Relay (1.0) Calculated Property
Tfus	326.93	K	Relay (1.0) Calculated Property
Vc	0.583	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.47; 496.15]	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			-5.69490e+01
Coefficient B			1.12086e+00
Coefficient C			-7.57160e-04
Coefficient D			1.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.47	J/mol×K	273.00	Calculated Property
Cp,gas	253.21	J/mol×K	353.78	Calculated Property
Cp,gas	302.69	J/mol×K	434.56	Calculated Property
Cp,gas	345.51	J/mol×K	515.33	Calculated Property
Cp,gas	382.27	J/mol×K	596.11	Calculated Property
Cp,gas	413.57	J/mol×K	676.89	Calculated Property
Cp,gas	440.01	J/mol×K	757.67	Calculated Property
Cp,gas	462.19	J/mol×K	838.44	Calculated Property
Cp,gas	480.70	J/mol×K	919.22	Calculated Property
Cp,gas	496.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-nitro-4-(phenylmethyl)-.

Sources

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

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