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

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4711		Relay (1.0) Calculated Property
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
ΔfG°	338.37	kJ/mol	Relay (1.0-beta) Calculated Property
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°	72.75	kJ/mol	Relay (1.0) 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	-3.17		Relay (1.0) 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	581.08	K	Relay (1.0) Calculated Property
Tc	838.53	K	Relay (1.0) Calculated Property
Tfus	324.15 ± 2.00	K	NIST
Vc	0.560	m3/kmol	Relay (1.0) Calculated Property

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

• 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.