Chemical Properties of Benzoic acid, 4-methoxy-, ethyl ester (CAS 94-30-4)

InChI

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

InChI Key

FHUODBDRWMIBQP-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CCOC(=O)c1ccc(OC)cc1

Molecular Weight¹

180.20

CAS

94-30-4

Other Names

• Benzoic acid, p-methoxy-, ethyl ester
• Ethyl 4-methoxybenzoate
• Ethyl anisate
• Ethyl ester of 4-methoxybenzoic acid
• Ethyl p-anisate
• Ethyl p-anisoate
• Ethyl p-methoxybenzoate
• NSC 4160
• p-Anisic acid, ethyl ester
• p-Methoxybenzoic acid, ethyl ester

• 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	0.5935		Relay (1.0) Calculated Property
ΔfH°gas	-460.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.87	kJ/mol	Joback Calculated Property
ΔvapH°	73.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.06		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	[1410.00; 1468.00]
Inp	1468.00		NIST
Inp	1426.00		NIST
Inp	1430.00		NIST
Inp	1468.00		NIST
Inp	1452.90		NIST
Inp	1450.00		NIST
Inp	1457.00		NIST
Inp	1424.00		NIST
Inp	1410.00		NIST
Inp	1426.00		NIST
Inp	1450.00		NIST
I	[2110.00; 2110.00]
I	2110.00		NIST
I	2110.00		NIST
I	2110.00		NIST
Tboil	540.91	K	Relay (1.0) Calculated Property
Tc	724.31	K	Relay (1.0) Calculated Property
Tfus	300.30	K	Relay (1.0) Calculated Property
Vc	0.528	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	[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

Similar Compounds

Find more compounds similar to Benzoic acid, 4-methoxy-, ethyl ester.

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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