Chemical Properties of Benzene, 1,3-dimethoxy-4-ethyl-2-methyl

InChI

InChI=1S/C11H16O2/c1-5-9-6-7-10(12-3)8(2)11(9)13-4/h6-7H,5H2,1-4H3

InChI Key

HGZINGCXEMEYCQ-UHFFFAOYSA-N

Formula

C11H16O2

SMILES

CCc1ccc(OC)c(C)c1OC

Molecular Weight¹

180.24

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.50	kJ/mol	Joback Calculated Property
logPoct/wat	2.575		Crippen Calculated Property
McVol	153.830	ml/mol	McGowan Calculated Property
Inp	[1357.00; 1357.00]
Inp	1357.00		NIST
Inp	1357.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[220.04; 496.18]	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			5.28810e+01
Coefficient B			6.65080e-01
Coefficient C			-1.82680e-04
Coefficient D			-3.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.04	J/mol×K	273.00	Calculated Property
Cp,gas	263.58	J/mol×K	353.78	Calculated Property
Cp,gas	304.19	J/mol×K	434.56	Calculated Property
Cp,gas	341.75	J/mol×K	515.33	Calculated Property
Cp,gas	376.15	J/mol×K	596.11	Calculated Property
Cp,gas	407.24	J/mol×K	676.89	Calculated Property
Cp,gas	434.91	J/mol×K	757.67	Calculated Property
Cp,gas	459.05	J/mol×K	838.44	Calculated Property
Cp,gas	479.51	J/mol×K	919.22	Calculated Property
Cp,gas	496.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008693; 0.0001550]	Pa×s	[322.17; 517.91]	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			-1.16107e+01
Coefficient B			1.47002e+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.			322.17
Temperature range, max.			517.91
η	0.0008693	Pa×s	322.17	Calculated Property
η	0.0006514	Pa×s	343.92	Calculated Property
η	0.0005052	Pa×s	365.67	Calculated Property
η	0.0004031	Pa×s	387.42	Calculated Property
η	0.0003295	Pa×s	409.16	Calculated Property
η	0.0002749	Pa×s	430.91	Calculated Property
η	0.0002333	Pa×s	452.66	Calculated Property
η	0.0002010	Pa×s	474.41	Calculated Property
η	0.0001755	Pa×s	496.16	Calculated Property
η	0.0001550	Pa×s	517.91	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-dimethoxy-4-ethyl-2-methyl.

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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