Chemical Properties of 2,3-Dimethoxytoluene (CAS 4463-33-6)

InChI

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

InChI Key

WMXFNCKPYCAIQW-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

COc1cccc(C)c1OC

Molecular Weight¹

152.19

CAS

4463-33-6

Other Names

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

• 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).
• 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
ΔfH°gas	-247.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.70	kJ/mol	Joback Calculated Property
ΔvapH°	63.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-1.96		Relay (1.0) Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Inp	[1169.00; 1182.50]
Inp	1182.50		NIST
Inp	1169.00		NIST
Inp	1172.00		NIST
I	[1806.00; 1818.00]
I	1806.00		NIST
I	1818.00		NIST
I	1806.00		NIST
Tboil	475.70	K	NIST
Tc	698.74	K	Relay (1.0) Calculated Property
Tfus	271.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.85; 330.70]	J/mol×K	[486.80; 693.63]
Cp,gas	262.85	J/mol×K	486.80	Joback Calculated Property
Cp,gas	275.38	J/mol×K	521.27	Joback Calculated Property
Cp,gas	287.43	J/mol×K	555.74	Joback Calculated Property
Cp,gas	299.00	J/mol×K	590.21	Joback Calculated Property
Cp,gas	310.08	J/mol×K	624.69	Joback Calculated Property
Cp,gas	320.65	J/mol×K	659.16	Joback Calculated Property
Cp,gas	330.70	J/mol×K	693.63	Joback Calculated Property
η	[0.0001604; 0.0010774]	Pa×s	[287.11; 486.80]
η	0.0010774	Pa×s	287.11	Joback Calculated Property
η	0.0006652	Pa×s	320.39	Joback Calculated Property
η	0.0004497	Pa×s	353.67	Joback Calculated Property
η	0.0003252	Pa×s	386.96	Joback Calculated Property
η	0.0002475	Pa×s	420.24	Joback Calculated Property
η	0.0001961	Pa×s	453.52	Joback Calculated Property
η	0.0001604	Pa×s	486.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dimethoxytoluene.

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

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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