Chemical Properties of 3,4-Dimethoxytoluene (CAS 494-99-5)

InChI

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

InChI Key

GYPMBQZAVBFUIZ-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

COc1ccc(C)cc1OC

Molecular Weight¹

152.19

CAS

494-99-5

Other Names

• Benzene, 1,2-dimethoxy-4-methyl-
• Homoveratrole
• Toluene, 3,4-dimethoxy-
• 1,2-Dimethoxy-4-methylbenzene
• 4-Methyl-1,2-dimethoxybenzene
• 4-Methylveratrol
• 4-Methylveratrole
• NSC 7378
• Veratrole, 4-methyl-
• 1,2-Dimethoxy-4-methyl-benzene (4-methylveratrol)
• Methyl veratrol

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-91.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.94	kJ/mol	Joback Calculated Property
ΔfusH°	14.70	kJ/mol	Joback Calculated Property
ΔvapH°	44.05	kJ/mol	Joback Calculated Property
IE	7.95	eV	NIST
log10WS	-2.19		Crippen 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	[1171.00; 1246.00]
Inp	1230.00		NIST
Inp	1171.00		NIST
Inp	Outlier 1246.00		NIST
Inp	1195.00		NIST
Inp	1204.00		NIST
Inp	1198.00		NIST
Inp	1199.00		NIST
Inp	1201.00		NIST
Inp	1204.00		NIST
Inp	1174.00		NIST
Inp	1207.00		NIST
Inp	1208.00		NIST
Inp	1207.00		NIST
Inp	1207.00		NIST
Inp	1195.00		NIST
Inp	1204.00		NIST
I	[1798.00; 1807.00]
I	1806.00		NIST
I	1807.00		NIST
I	1798.00		NIST
I	1806.00		NIST
I	1798.00		NIST
Tboil	[493.15; 493.20]	K
Tboil	493.20	K	NIST
Tboil	493.15 ± 1.00	K	NIST
Tboil	493.15 ± 1.00	K	NIST
Tc	693.63	K	Joback Calculated Property
Tfus	287.11	K	Joback Calculated Property
Vc	0.468	m3/kmol	Joback Calculated Property

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	386.95	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 3,4-Dimethoxytoluene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.