Chemical Properties of 2,6-Dimethoxytoluene (CAS 5673-07-4)

InChI

InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3

InChI Key

FPEUDBGJAVKAEE-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

COc1cccc(OC)c1C

Molecular Weight¹

152.19

CAS

5673-07-4

Other Names

• 1,3-Dimethoxy-2-methylbenzene
• 2-Methylresorcinol, dimethyl ether
• Benzene, 1,3-dimethoxy-2-methyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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.
• I : 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
ω	0.4892		Relay (1.0) Calculated Property
ΔfG°	-91.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.70	kJ/mol	Joback Calculated Property
ΔvapH°	62.41	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-2.31		Relay (1.0) Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3035.62	kPa	Joback Calculated Property
Inp	[1224.00; 1266.00]
Inp	1243.00		NIST
Inp	1264.10		NIST
Inp	1224.00		NIST
Inp	1225.00		NIST
Inp	1266.00		NIST
Inp	1243.00		NIST
I	[1783.00; 1797.00]
I	1783.00		NIST
I	1790.00		NIST
I	1797.00		NIST
I	1783.00		NIST
Tboil	499.77	K	Relay (1.0) Calculated Property
Tc	693.07	K	Relay (1.0) Calculated Property
Tfus	320.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.92; 330.79]	J/mol×K	[487.00; 693.91]
Cp,gas	262.92	J/mol×K	487.00	Joback Calculated Property
Cp,gas	275.45	J/mol×K	521.49	Joback Calculated Property
Cp,gas	287.51	J/mol×K	555.97	Joback Calculated Property
Cp,gas	299.08	J/mol×K	590.46	Joback Calculated Property
Cp,gas	310.16	J/mol×K	624.94	Joback Calculated Property
Cp,gas	320.73	J/mol×K	659.43	Joback Calculated Property
Cp,gas	330.79	J/mol×K	693.91	Joback Calculated Property
η	[0.0001603; 0.0010774]	Pa×s	[287.11; 487.00]
η	0.0010774	Pa×s	287.11	Joback Calculated Property
η	0.0006649	Pa×s	320.43	Joback Calculated Property
η	0.0004494	Pa×s	353.74	Joback Calculated Property
η	0.0003249	Pa×s	387.06	Joback Calculated Property
η	0.0002473	Pa×s	420.37	Joback Calculated Property
η	0.0001959	Pa×s	453.69	Joback Calculated Property
η	0.0001603	Pa×s	487.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dimethoxytoluene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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