Chemical Properties of Benzoic acid, 2-methoxy-, ethyl ester (CAS 7335-26-4)

InChI

InChI=1S/C10H12O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3

InChI Key

FNODWEPAWIJGPM-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CCOC(=O)c1ccccc1OC

Molecular Weight¹

180.20

CAS

7335-26-4

Other Names

• o-Anisic acid, ethyl ester
• Ethyl o-methoxybenzoate
• Ethyl 2-methoxybenzoate
• o-Methoxybenzoic acid, ethyl ester
• ethyl o-anisate

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5737		Relay (1.0) Calculated Property
ΔfH°gas	-457.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.87	kJ/mol	Joback Calculated Property
ΔvapH°	68.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-2.70		Relay (1.0) Calculated Property
logPoct/wat	1.872		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	2847.48	kPa	Joback Calculated Property
Inp	[1412.10; 1435.00]
Inp	1435.00		NIST
Inp	1412.10		NIST
Inp	1412.10		NIST
Tboil	534.65 ± 1.00	K	NIST
Tc	725.58	K	Relay (1.0) Calculated Property
Tfus	262.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[320.16; 389.81]	J/mol×K	[540.70; 749.66]
Cp,gas	320.16	J/mol×K	540.70	Joback Calculated Property
Cp,gas	333.49	J/mol×K	575.53	Joback Calculated Property
Cp,gas	346.14	J/mol×K	610.35	Joback Calculated Property
Cp,gas	358.10	J/mol×K	645.18	Joback Calculated Property
Cp,gas	369.36	J/mol×K	680.00	Joback Calculated Property
Cp,gas	379.93	J/mol×K	714.83	Joback Calculated Property
Cp,gas	389.81	J/mol×K	749.66	Joback Calculated Property
η	[0.0001582; 0.0018842]	Pa×s	[305.96; 540.70]
η	0.0018842	Pa×s	305.96	Joback Calculated Property
η	0.0009866	Pa×s	345.08	Joback Calculated Property
η	0.0005894	Pa×s	384.21	Joback Calculated Property
η	0.0003872	Pa×s	423.33	Joback Calculated Property
η	0.0002732	Pa×s	462.45	Joback Calculated Property
η	0.0002035	Pa×s	501.58	Joback Calculated Property
η	0.0001582	Pa×s	540.70	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzoic acid, 2-methoxy-, ethyl ester.

Sources

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

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