Chemical Properties of Benzenamine, N-(phenylmethylene)- (CAS 538-51-2)

InChI

InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H

InChI Key

UVEWQKMPXAHFST-UHFFFAOYSA-N

Formula

C13H11N

SMILES

C(=Nc1ccccc1)c1ccccc1

Molecular Weight¹

181.23

CAS

538-51-2

Other Names

• Aniline, N-benzylidene-
• Benzalaniline
• Benzaldehyde anil
• Benzylideneaniline
• N-Benzalaniline
• N-Benzylidenaniline
• N-Benzylideneaniline
• M4
• N-Phenylbenzenemethanimine
• N-Phenylbenzylideneimine
• Benzylidene-phenyl-amine
• N-(Phenylmethylene)benzenamine
• NSC 736

• Δ_cH°_solid : Standard solid enthalpy of combustion (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 a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-6872.70; -6855.50]	kJ/mol
ΔcH°solid	-6872.70 ± 1.10	kJ/mol	NIST
ΔcH°solid	-6855.50 ± 7.10	kJ/mol	NIST
ΔfH°gas	278.70 ± 2.20	kJ/mol	NIST
ΔfH°solid	185.00 ± 2.00	kJ/mol	NIST
ΔsubH°	[93.70; 98.10]	kJ/mol
ΔsubH°	98.10 ± 1.20	kJ/mol	NIST
ΔsubH°	93.70 ± 0.90	kJ/mol	NIST
ΔsubH°	93.70	kJ/mol	NIST
ΔsubH°	93.70 ± 0.90	kJ/mol	NIST
ΔvapH°	52.40	kJ/mol	Joback Calculated Property
IE	[8.00; 8.27]	eV
IE	8.00	eV	NIST
IE	8.25	eV	NIST
IE	8.25	eV	NIST
IE	8.27 ± 0.05	eV	NIST
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	3.437		Crippen Calculated Property
McVol	152.190	ml/mol	McGowan Calculated Property
Pc	2744.03	kPa	Joback Calculated Property
Inp	[1769.00; 1769.00]
Inp	1769.00		NIST
Inp	1769.00		NIST
Tboil	626.88	K	Joback Calculated Property
Tc	888.46	K	Joback Calculated Property
Tfus	324.15 ± 2.00	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	20.42	kJ/mol	329.70	NIST
ΔsubH	[85.50; 97.40]	kJ/mol	[293.00; 310.00]
ΔsubH	85.50 ± 2.10	kJ/mol	293.00	NIST
ΔsubH	86.00 ± 2.00	kJ/mol	293.00	NIST
ΔsubH	97.40 ± 1.20	kJ/mol	310.00	NIST

Similar Compounds

Find more compounds similar to Benzenamine, N-(phenylmethylene)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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