Chemical Properties of Benzenemethanamine, N-phenyl- (CAS 103-32-2)

InChI

InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2

InChI Key

GTWJETSWSUWSEJ-UHFFFAOYSA-N

Formula

C13H13N

SMILES

c1ccc(CNc2ccccc2)cc1

Molecular Weight¹

183.25

CAS

103-32-2

Other Names

• Benzylamine, N-phenyl-
• Aniline, N-benzyl-
• Benzenamine, N-(phenylmethyl)-
• Benzylaniline
• Benzylphenylamine
• N-Benzylaniline
• N-Monobenzylaniline
• N-Phenylbenzylamine
• Phenylbenzylamine
• N-Phenylbenzenemethanamine
• NSC 147284

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4922		Relay (1.0) Calculated Property
ΔfH°gas	216.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.61	kJ/mol	Joback Calculated Property
ΔvapH°	78.86	kJ/mol	Relay (1.0) Calculated Property
IE	7.55	eV	Relay (1.0) Calculated Property
log10WS	-3.39		Relay (1.0) Calculated Property
logPoct/wat	3.299		Crippen Calculated Property
McVol	156.490	ml/mol	McGowan Calculated Property
Pc	3117.52	kPa	Joback Calculated Property
Tboil	[579.50; 579.70]	K
Tboil	579.70	K	NIST
Tboil	579.50 ± 0.50	K	NIST
Tc	859.31	K	Relay (1.0) Calculated Property
Tfus	[305.15; 311.00]	K
Tfus	311.00 ± 1.00	K	NIST
Tfus	310.00 ± 1.00	K	NIST
Tfus	305.15 ± 0.50	K	NIST
Vc	0.572	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.82; 455.85]	J/mol×K	[600.37; 843.03]
Cp,gas	374.82	J/mol×K	600.37	Joback Calculated Property
Cp,gas	391.33	J/mol×K	640.81	Joback Calculated Property
Cp,gas	406.53	J/mol×K	681.26	Joback Calculated Property
Cp,gas	420.50	J/mol×K	721.70	Joback Calculated Property
Cp,gas	433.32	J/mol×K	762.15	Joback Calculated Property
Cp,gas	445.08	J/mol×K	802.59	Joback Calculated Property
Cp,gas	455.85	J/mol×K	843.03	Joback Calculated Property
ΔfusH	[16.76; 16.76]	kJ/mol	[305.60; 305.60]
ΔfusH	16.76	kJ/mol	305.60	NIST
ΔfusH	16.76	kJ/mol	305.60	NIST
ΔsubH	103.60 ± 1.60	kJ/mol	302.50	NIST
ΔvapH	79.60 ± 1.10	kJ/mol	329.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[475.00; 475.20]	K	[4.90; 4.90]
Tboilr	475.20	K	4.90	NIST
Tboilr	475.00 ± 1.00	K	4.90	NIST

Similar Compounds

Find more compounds similar to Benzenemethanamine, N-phenyl-.

Sources

• Cheméo Relay (1.0)
• 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.