Chemical Properties of 4,4'-Dimethoxybiphenyl

InChI

InChI=1S/C14H14O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10H,1-2H3

InChI Key

UIMPAOAAAYDUKQ-UHFFFAOYSA-N

Formula

C14H14O2

SMILES

COc1ccc(-c2ccc(OC)cc2)cc1

Molecular Weight¹

214.26

Other Names

• 1,1'-Biphenyl, 4,4'-dimethoxy-

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-108.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.70	kJ/mol	Joback Calculated Property
ΔvapH°	90.73	kJ/mol	Relay (1.0) Calculated Property
IE	7.66	eV	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	3.371		Crippen Calculated Property
McVol	172.340	ml/mol	McGowan Calculated Property
Pc	2592.49	kPa	Joback Calculated Property
Inp	[1965.00; 1965.00]
Inp	1965.00		NIST
Inp	1965.00		NIST
Tboil	617.45	K	Relay (1.0) Calculated Property
Tc	827.32	K	Relay (1.0) Calculated Property
Tfus	448.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.87; 535.47]	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			1.95000e+00
Coefficient B			9.30640e-01
Coefficient C			-4.44120e-04
Coefficient D			4.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.87	J/mol×K	273.00	Calculated Property
Cp,gas	277.69	J/mol×K	353.78	Calculated Property
Cp,gas	326.35	J/mol×K	434.56	Calculated Property
Cp,gas	370.03	J/mol×K	515.33	Calculated Property
Cp,gas	408.85	J/mol×K	596.11	Calculated Property
Cp,gas	442.98	J/mol×K	676.89	Calculated Property
Cp,gas	472.56	J/mol×K	757.67	Calculated Property
Cp,gas	497.73	J/mol×K	838.44	Calculated Property
Cp,gas	518.65	J/mol×K	919.22	Calculated Property
Cp,gas	535.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003658; 0.0001271]	Pa×s	[448.15; 603.87]	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			-1.20128e+01
Coefficient B			1.83718e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			448.15
Temperature range, max.			603.87
η	0.0003658	Pa×s	448.15	Calculated Property
η	0.0003141	Pa×s	465.45	Calculated Property
η	0.0002727	Pa×s	482.75	Calculated Property
η	0.0002390	Pa×s	500.06	Calculated Property
η	0.0002114	Pa×s	517.36	Calculated Property
η	0.0001885	Pa×s	534.66	Calculated Property
η	0.0001692	Pa×s	551.96	Calculated Property
η	0.0001529	Pa×s	569.27	Calculated Property
η	0.0001390	Pa×s	586.57	Calculated Property
η	0.0001271	Pa×s	603.87	Calculated Property

Similar Compounds

Find more compounds similar to 4,4'-Dimethoxybiphenyl.

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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