Chemical Properties of [1,1'-Biphenyl]-3-amine (CAS 2243-47-2)

InChI

InChI=1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2

InChI Key

MUNOBADFTHUUFG-UHFFFAOYSA-N

Formula

C12H11N

SMILES

Nc1cccc(-c2ccccc2)c1

Molecular Weight¹

169.22

CAS

2243-47-2

Other Names

• 3-Aminobiphenyl
• 3-Biphenylamine
• 3-Phenylaniline
• m-Aminobiphenyl
• m-Phenylaniline

• 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_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	0.5121		Relay (1.0) Calculated Property
ΔfG°	331.80	kJ/mol	Joback Calculated Property
ΔfH°gas	207.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.73	kJ/mol	Joback Calculated Property
ΔvapH°	82.61	kJ/mol	Relay (1.0) Calculated Property
IE	7.48	eV	Relay (1.0) Calculated Property
log10WS	-2.96		Relay (1.0) Calculated Property
logPoct/wat	2.936		Crippen Calculated Property
McVol	142.400	ml/mol	McGowan Calculated Property
Pc	3602.88	kPa	Joback Calculated Property
Inp	297.33		NIST
Tboil	600.48	K	Relay (1.0) Calculated Property
Tc	863.61	K	Relay (1.0) Calculated Property
Tfus	[304.30; 306.15]	K
Tfus	306.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	304.30 ± 0.30	K	NIST
Vc	0.512	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[450.20; 527.20]	K	[2.40; 18.00]
Tboilr	450.20	K	2.40	NIST
Tboilr	450.50 ± 0.50	K	2.40	NIST
Tboilr	527.20	K	18.00	NIST
Tboilr	527.00	K	18.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.46; 434.30]	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			-5.50400e+01
Coefficient B			9.88400e-01
Coefficient C			-6.67760e-04
Coefficient D			1.68700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.46	J/mol×K	273.00	Calculated Property
Cp,gas	218.53	J/mol×K	353.78	Calculated Property
Cp,gas	262.22	J/mol×K	434.56	Calculated Property
Cp,gas	300.07	J/mol×K	515.33	Calculated Property
Cp,gas	332.60	J/mol×K	596.11	Calculated Property
Cp,gas	360.36	J/mol×K	676.89	Calculated Property
Cp,gas	383.88	J/mol×K	757.67	Calculated Property
Cp,gas	403.69	J/mol×K	838.44	Calculated Property
Cp,gas	420.31	J/mol×K	919.22	Calculated Property
Cp,gas	434.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-3-amine.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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