Chemical Properties of 1,1'-Biphenyl, 2-methoxy- (CAS 86-26-0)

InChI

InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3

InChI Key

NLWCWEGVNJVLAX-UHFFFAOYSA-N

Formula

C13H12O

SMILES

COc1ccccc1-c1ccccc1

Molecular Weight¹

184.23

CAS

86-26-0

Other Names

• Anisole, o-phenyl-
• o-Phenylanisole
• 2-Methoxybiphenyl
• 2-Phenylanisole
• o-Methoxybiphenyl
• 2-Hydroxybiphenyl methyl ether
• 2-Methoxydiphenyl
• biphenyl-2-yl methyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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	0.4552		Relay (1.0) Calculated Property
ΔfH°gas	47.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.31	kJ/mol	Joback Calculated Property
ΔvapH°	78.31	kJ/mol	Relay (1.0) Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	3.362		Crippen Calculated Property
McVol	152.380	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[1511.00; 1574.00]
Inp	1574.00		NIST
Inp	1511.00		NIST
I	2246.00		NIST
Tboil	547.20	K	NIST
Tc	798.08	K	Relay (1.0) Calculated Property
Tfus	300.83	K	Relay (1.0) Calculated Property
Vc	0.557	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.70; 468.42]	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			-3.69400e+01
Coefficient B			9.58320e-01
Coefficient C			-5.67760e-04
Coefficient D			1.14800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.70	J/mol×K	273.00	Calculated Property
Cp,gas	236.12	J/mol×K	353.78	Calculated Property
Cp,gas	281.71	J/mol×K	434.56	Calculated Property
Cp,gas	321.85	J/mol×K	515.33	Calculated Property
Cp,gas	356.89	J/mol×K	596.11	Calculated Property
Cp,gas	387.20	J/mol×K	676.89	Calculated Property
Cp,gas	413.15	J/mol×K	757.67	Calculated Property
Cp,gas	435.09	J/mol×K	838.44	Calculated Property
Cp,gas	453.40	J/mol×K	919.22	Calculated Property
Cp,gas	468.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014893; 0.0001570]	Pa×s	[323.86; 573.99]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16728e+01
Coefficient B			1.67219e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			323.86
Temperature range, max.			573.99
η	0.0014893	Pa×s	323.86	Calculated Property
η	0.0009903	Pa×s	351.65	Calculated Property
η	0.0006990	Pa×s	379.44	Calculated Property
η	0.0005175	Pa×s	407.24	Calculated Property
η	0.0003981	Pa×s	435.03	Calculated Property
η	0.0003160	Pa×s	462.82	Calculated Property
η	0.0002575	Pa×s	490.61	Calculated Property
η	0.0002145	Pa×s	518.40	Calculated Property
η	0.0001820	Pa×s	546.20	Calculated Property
η	0.0001570	Pa×s	573.99	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2-methoxy-.

Sources

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

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