Chemical Properties of 1,1'-Biphenyl, 4-methoxy- (CAS 613-37-6)

InChI

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

InChI Key

RHDYQUZYHZWTCI-UHFFFAOYSA-N

Formula

C13H12O

SMILES

COc1ccc(-c2ccccc2)cc1

Molecular Weight¹

184.23

CAS

613-37-6

Other Names

• Anisole, p-phenyl-
• p-Methoxybiphenyl
• 4-Methoxybiphenyl
• 4-Methoxy-1,1'-biphenyl
• p-Phenylanisole
• 4-Methoxydiphenyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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	0.4706		Relay (1.0) Calculated Property
ΔfG°	168.77	kJ/mol	Joback Calculated Property
ΔfH°gas	49.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.31	kJ/mol	Joback Calculated Property
ΔvapH°	78.73	kJ/mol	Relay (1.0) Calculated Property
IE	7.78	eV	Relay (1.0) Calculated Property
log10WS	-4.55		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	[1606.00; 1695.90]
Inp	1695.90		NIST
Inp	1606.00		NIST
Inp	1606.00		NIST
Tboil	576.31	K	Relay (1.0) Calculated Property
Tc	801.50	K	Relay (1.0) Calculated Property
Tfus	347.20	K	Relay (1.0) Calculated Property
Vc	0.562	m3/kmol	Relay (1.0) Calculated Property

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, 4-methoxy-.

Sources

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

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