Chemical Properties of 6,7-dimethoxy-m-cymene

InChI

InChI=1S/C12H18O2/c1-9(2)10-5-6-12(14-4)11(7-10)8-13-3/h5-7,9H,8H2,1-4H3

InChI Key

WMZSSQXSRIEJGC-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

COCc1cc(C(C)C)ccc1OC

Molecular Weight¹

194.27

• 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).
• 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°	18.95	kJ/mol	Joback Calculated Property
logPoct/wat	2.965		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Inp	[1467.00; 1467.00]
Inp	1467.00		NIST
Inp	1467.00		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	[238.39; 551.35]	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			3.59910e+01
Coefficient B			8.25480e-01
Coefficient C			-3.07320e-04
Coefficient D			-2.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.39	J/mol×K	273.00	Calculated Property
Cp,gas	289.44	J/mol×K	353.78	Calculated Property
Cp,gas	336.44	J/mol×K	434.56	Calculated Property
Cp,gas	379.39	J/mol×K	515.33	Calculated Property
Cp,gas	418.27	J/mol×K	596.11	Calculated Property
Cp,gas	453.07	J/mol×K	676.89	Calculated Property
Cp,gas	483.79	J/mol×K	757.67	Calculated Property
Cp,gas	510.42	J/mol×K	838.44	Calculated Property
Cp,gas	532.94	J/mol×K	919.22	Calculated Property
Cp,gas	551.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014180; 0.0001441]	Pa×s	[305.92; 530.29]	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			-1.19627e+01
Coefficient B			1.65326e+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.			305.92
Temperature range, max.			530.29
η	0.0014180	Pa×s	305.92	Calculated Property
η	0.0009437	Pa×s	330.85	Calculated Property
η	0.0006649	Pa×s	355.78	Calculated Property
η	0.0004905	Pa×s	380.71	Calculated Property
η	0.0003756	Pa×s	405.64	Calculated Property
η	0.0002966	Pa×s	430.57	Calculated Property
η	0.0002404	Pa×s	455.50	Calculated Property
η	0.0001991	Pa×s	480.43	Calculated Property
η	0.0001680	Pa×s	505.36	Calculated Property
η	0.0001441	Pa×s	530.29	Calculated Property

Similar Compounds

Find more compounds similar to 6,7-dimethoxy-m-cymene.

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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