Chemical Properties of methyl 3-methoxysalicylate (CAS 6342-70-7)

InChI

InChI=1S/C9H10O4/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5,10H,1-2H3

InChI Key

BWRCJLJJIXYLNV-UHFFFAOYSA-N

Formula

C9H10O4

SMILES

COC(=O)c1cccc(OC)c1O

Molecular Weight¹

182.17

CAS

6342-70-7

Other Names

• Methyl 2-hydroxy-3-methoxybenzoate

• ω : Acentric Factor.
• 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).
• 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
ω	0.6916		Relay (1.0) Calculated Property
ΔfH°gas	-618.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.06	kJ/mol	Joback Calculated Property
ΔvapH°	82.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-2.12		Relay (1.0) Calculated Property
logPoct/wat	1.187		Crippen Calculated Property
McVol	133.090	ml/mol	McGowan Calculated Property
Pc	3768.41	kPa	Joback Calculated Property
Inp	[1417.00; 1459.50]
Inp	1459.50		NIST
Inp	1417.00		NIST
Inp	1417.00		NIST
Inp	1459.50		NIST
I	[2239.00; 2239.00]
I	2239.00		NIST
I	2239.00		NIST
Tboil	541.30	K	Relay (1.0) Calculated Property
Tc	766.92	K	Relay (1.0) Calculated Property
Tfus	337.99	K	Relay (1.0) Calculated Property
Vc	0.482	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[323.20; 379.93]	J/mol×K	[598.44; 821.96]
Cp,gas	323.20	J/mol×K	598.44	Joback Calculated Property
Cp,gas	334.31	J/mol×K	635.69	Joback Calculated Property
Cp,gas	344.71	J/mol×K	672.95	Joback Calculated Property
Cp,gas	354.43	J/mol×K	710.20	Joback Calculated Property
Cp,gas	363.52	J/mol×K	747.46	Joback Calculated Property
Cp,gas	372.01	J/mol×K	784.71	Joback Calculated Property
Cp,gas	379.93	J/mol×K	821.96	Joback Calculated Property
η	[0.0000272; 0.0007291]	Pa×s	[406.41; 598.44]
η	0.0007291	Pa×s	406.41	Joback Calculated Property
η	0.0003451	Pa×s	438.42	Joback Calculated Property
η	0.0001808	Pa×s	470.42	Joback Calculated Property
η	0.0001029	Pa×s	502.43	Joback Calculated Property
η	0.0000626	Pa×s	534.43	Joback Calculated Property
η	0.0000403	Pa×s	566.44	Joback Calculated Property
η	0.0000272	Pa×s	598.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl 3-methoxysalicylate.

Sources

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

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