Chemical Properties of 1,2-Dimethoxy-4-(1,2-dimethoxyethyl)benzene

InChI

InChI=1S/C12H18O4/c1-13-8-12(16-4)9-5-6-10(14-2)11(7-9)15-3/h5-7,12H,8H2,1-4H3

InChI Key

FBZUMNXNTSNNCG-UHFFFAOYSA-N

Formula

C12H18O4

SMILES

COCC(OC)c1ccc(OC)c(OC)c1

Molecular Weight¹

226.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.33	kJ/mol	Joback Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
logPoct/wat	2.038		Crippen Calculated Property
McVol	179.660	ml/mol	McGowan Calculated Property
Inp	[1634.40; 1634.40]
Inp	1634.40		NIST
Inp	1634.40		NIST
Tboil	562.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[269.19; 588.35]	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			8.69910e+01
Coefficient B			6.99080e-01
Coefficient C			-8.53200e-05
Coefficient D			-1.12400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.19	J/mol×K	273.00	Calculated Property
Cp,gas	318.65	J/mol×K	353.78	Calculated Property
Cp,gas	365.44	J/mol×K	434.56	Calculated Property
Cp,gas	409.21	J/mol×K	515.33	Calculated Property
Cp,gas	449.59	J/mol×K	596.11	Calculated Property
Cp,gas	486.24	J/mol×K	676.89	Calculated Property
Cp,gas	518.79	J/mol×K	757.67	Calculated Property
Cp,gas	546.90	J/mol×K	838.44	Calculated Property
Cp,gas	570.21	J/mol×K	919.22	Calculated Property
Cp,gas	588.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007717; 0.0001022]	Pa×s	[350.38; 559.13]	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			-1.25823e+01
Coefficient B			1.89744e+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.			350.38
Temperature range, max.			559.13
η	0.0007717	Pa×s	350.38	Calculated Property
η	0.0005514	Pa×s	373.57	Calculated Property
η	0.0004097	Pa×s	396.77	Calculated Property
η	0.0003146	Pa×s	419.96	Calculated Property
η	0.0002484	Pa×s	443.16	Calculated Property
η	0.0002007	Pa×s	466.35	Calculated Property
η	0.0001655	Pa×s	489.55	Calculated Property
η	0.0001389	Pa×s	512.74	Calculated Property
η	0.0001184	Pa×s	535.93	Calculated Property
η	0.0001022	Pa×s	559.13	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dimethoxy-4-(1,2-dimethoxyethyl)benzene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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