Chemical Properties of Benzene, 1,4-diethoxy- (CAS 122-95-2)

InChI

InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3

InChI Key

VWGNFIQXBYRDCH-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CCOc1ccc(OCC)cc1

Molecular Weight¹

166.22

CAS

122-95-2

Other Names

• 1,4-Diethoxybenzene
• Benzene, p-diethoxy-
• Hydroquinone diethyl ether
• p-Diethoxybenzene

• 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).
• 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[193.72; 450.67]	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			2.51920e+01
Coefficient B			6.89040e-01
Coefficient C			-2.62360e-04
Coefficient D			-1.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.72	J/mol×K	273.00	Calculated Property
Cp,gas	236.07	J/mol×K	353.78	Calculated Property
Cp,gas	274.98	J/mol×K	434.56	Calculated Property
Cp,gas	310.44	J/mol×K	515.33	Calculated Property
Cp,gas	342.45	J/mol×K	596.11	Calculated Property
Cp,gas	371.02	J/mol×K	676.89	Calculated Property
Cp,gas	396.12	J/mol×K	757.67	Calculated Property
Cp,gas	417.77	J/mol×K	838.44	Calculated Property
Cp,gas	435.95	J/mol×K	919.22	Calculated Property
Cp,gas	450.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006128; 0.0001672]	Pa×s	[345.15; 495.39]	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			-1.16807e+01
Coefficient B			1.47838e+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.			345.15
Temperature range, max.			495.39
η	0.0006128	Pa×s	345.15	Calculated Property
η	0.0005030	Pa×s	361.84	Calculated Property
η	0.0004200	Pa×s	378.54	Calculated Property
η	0.0003562	Pa×s	395.23	Calculated Property
η	0.0003061	Pa×s	411.92	Calculated Property
η	0.0002661	Pa×s	428.61	Calculated Property
η	0.0002339	Pa×s	445.31	Calculated Property
η	0.0002074	Pa×s	462.00	Calculated Property
η	0.0001855	Pa×s	478.69	Calculated Property
η	0.0001672	Pa×s	495.39	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-diethoxy-.

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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