Chemical Properties of 2-Aminobiphenyl (CAS 90-41-5)

InChI

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

InChI Key

TWBPWBPGNQWFSJ-UHFFFAOYSA-N

Formula

C12H11N

SMILES

Nc1ccccc1-c1ccccc1

Molecular Weight¹

169.22

CAS

90-41-5

Other Names

• [1,1'-Biphenyl]-2-amine
• 2-Biphenylamine
• o-Aminobiphenyl
• o-Aminodiphenyl
• o-Biphenylamine
• o-Phenylaniline
• 2-Aminodiphenyl
• 2-Phenylaniline
• o-Xenylamine
• 2-Aminobifenyl
• 2-Phenylbenzenamine
• 2-Amino-1,1'-biphenyl
• NSC 7661
• biphenyl-2-ylamine

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase 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 standard conditions (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).
• I_np : Non-polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4985		Relay (1.0) Calculated Property
ΔcH°solid	[-6406.16; -6387.97]	kJ/mol
ΔcH°solid	-6387.97 ± 0.88	kJ/mol	NIST
ΔcH°solid	-6406.16	kJ/mol	NIST
ΔfG°	331.80	kJ/mol	Joback Calculated Property
ΔfH°gas	184.41 ± 0.54	kJ/mol	NIST
ΔfH°solid	93.80 ± 1.10	kJ/mol	NIST
ΔfusH°	19.73	kJ/mol	Joback Calculated Property
ΔsubH°	[90.60; 90.60]	kJ/mol
ΔsubH°	90.60	kJ/mol	NIST
ΔsubH°	90.60	kJ/mol	NIST
ΔvapH°	78.45	kJ/mol	Relay (1.0) Calculated Property
IE	[7.28; 7.60]	eV
IE	7.28 ± 0.02	eV	NIST
IE	7.60 ± 0.10	eV	NIST
log10WS	-2.79		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	[271.35; 1598.00]
Inp	1598.00		NIST
Inp	1584.00		NIST
Inp	1534.00		NIST
Inp	273.12		NIST
Inp	271.35		NIST
Inp	273.63		NIST
Inp	1584.00		NIST
Inp	1598.00		NIST
Inp	273.12		NIST
S°solid,1 bar	233.48	J/mol×K	NIST
Tboil	[572.00; 572.20]	K
Tboil	572.20	K	NIST
Tboil	572.00	K	NIST
Tc	851.42	K	Relay (1.0) Calculated Property
Tfus	[322.50; 322.65]	K
Tfus	322.50 ± 0.50	K	NIST
Tfus	322.65 ± 1.50	K	NIST
Ttriple	[322.28; 322.28]	K
Ttriple	322.28 ± 0.02	K	NIST
Ttriple	322.28 ± 0.02	K	NIST
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	221.86	J/mol×K	298.15	NIST
ΔfusH	[13.99; 13.99]	kJ/mol	[322.30; 322.30]
ΔfusH	13.99	kJ/mol	322.30	NIST
ΔfusH	13.99	kJ/mol	322.30	NIST
ΔvapH	[51.70; 68.60]	kJ/mol	[481.50; 481.50]
ΔvapH	68.60	kJ/mol	481.50	NIST
ΔvapH	65.10	kJ/mol	481.50	NIST
ΔvapH	61.80	kJ/mol	481.50	NIST
ΔvapH	58.50	kJ/mol	481.50	NIST
ΔvapH	55.20	kJ/mol	481.50	NIST
ΔvapH	51.70	kJ/mol	481.50	NIST
ΔvapH	68.60	kJ/mol	481.50	NIST
ΔvapH	65.10	kJ/mol	481.50	NIST
ΔvapH	61.80	kJ/mol	481.50	NIST
ΔvapH	58.50	kJ/mol	481.50	NIST
ΔvapH	55.20	kJ/mol	481.50	NIST
ΔvapH	51.70	kJ/mol	481.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[419.50; 443.20]	K	[0.70; 2.00]
Tboilr	419.50 ± 1.50	K	0.70	NIST
Tboilr	443.20	K	2.00	NIST
Tboilr	443.00	K	2.00	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 2-Aminobiphenyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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