Chemical Properties of 3-CH3O-C6H4-COOCH3

InChI

InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3

InChI Key

DUKYPQBGYRJVAN-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COC(=O)c1cccc(OC)c1

Molecular Weight¹

166.18

Other Names

• m-Anisic acid, methyl ester
• m-Methoxybenzoic acid methyl ester
• Methyl m-anisate
• Methyl m-methoxybenzoate
• Methyl 3-methoxybenzoate
• 3-Methoxybenoic acid methyl ester
• 3-Methoxybenzoic acid methyl ester
• Methyl ester of m-Methoxybenzoic acid
• 3-CH3O-C6H4-COOCH3
• NSC 100922

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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.
• 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	0.5586		Relay (1.0) Calculated Property
PAff	856.70	kJ/mol	NIST
BasG	825.80	kJ/mol	NIST
ΔfH°gas	-415.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	72.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-2.54		Relay (1.0) Calculated Property
logPoct/wat	1.482		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3163.27	kPa	Joback Calculated Property
Inp	[1316.00; 1358.90]
Inp	1316.00		NIST
Inp	1352.00		NIST
Inp	1331.00		NIST
Inp	1358.90		NIST
Inp	1325.00		NIST
Inp	1352.00		NIST
Inp	1325.00		NIST
Inp	1358.90		NIST
Tboil	523.16	K	Relay (1.0) Calculated Property
Tc	725.91	K	Relay (1.0) Calculated Property
Tfus	284.13	K	Relay (1.0) Calculated Property
Vc	0.475	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	[275.67; 340.27]	J/mol×K	[517.82; 730.12]
Cp,gas	275.67	J/mol×K	517.82	Joback Calculated Property
Cp,gas	288.01	J/mol×K	553.20	Joback Calculated Property
Cp,gas	299.73	J/mol×K	588.59	Joback Calculated Property
Cp,gas	310.82	J/mol×K	623.97	Joback Calculated Property
Cp,gas	321.28	J/mol×K	659.36	Joback Calculated Property
Cp,gas	331.09	J/mol×K	694.74	Joback Calculated Property
Cp,gas	340.27	J/mol×K	730.12	Joback Calculated Property
η	[0.0001712; 0.0019159]	Pa×s	[294.69; 517.82]
η	0.0019159	Pa×s	294.69	Joback Calculated Property
η	0.0010223	Pa×s	331.88	Joback Calculated Property
η	0.0006191	Pa×s	369.07	Joback Calculated Property
η	0.0004110	Pa×s	406.25	Joback Calculated Property
η	0.0002923	Pa×s	443.44	Joback Calculated Property
η	0.0002191	Pa×s	480.63	Joback Calculated Property
η	0.0001712	Pa×s	517.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-CH3O-C6H4-COOCH3.

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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