Chemical Properties of Benzene, 1-nitro-4-(phenylmethyl)- (CAS 1817-77-2)

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

213.23

CAS

1817-77-2

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_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	0.5822		Relay (1.0) Calculated Property
ΔfG°	309.32	kJ/mol	Joback Calculated Property
ΔfH°gas	164.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.48	kJ/mol	Joback Calculated Property
ΔvapH°	91.81	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	882.65	K	Relay (1.0) Calculated Property
Tfus	331.43	K	Relay (1.0) Calculated Property
Vc	0.583	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.97; 491.73]	J/mol×K	[707.02; 975.37]
Cp,gas	423.97	J/mol×K	707.02	Joback Calculated Property
Cp,gas	438.23	J/mol×K	751.74	Joback Calculated Property
Cp,gas	451.16	J/mol×K	796.47	Joback Calculated Property
Cp,gas	462.88	J/mol×K	841.19	Joback Calculated Property
Cp,gas	473.48	J/mol×K	885.92	Joback Calculated Property
Cp,gas	483.06	J/mol×K	930.64	Joback Calculated Property
Cp,gas	491.73	J/mol×K	975.37	Joback 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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