Chemical Properties of Benzeneacetic acid, 2-methoxy-, methyl ester (CAS 27798-60-3)

InChI

InChI=1S/C10H12O3/c1-12-9-6-4-3-5-8(9)7-10(11)13-2/h3-6H,7H2,1-2H3

InChI Key

BNQRSYFOIRGRKV-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

COC(=O)Cc1ccccc1OC

Molecular Weight¹

180.20

CAS

27798-60-3

Other Names

• Acetic acid, (o-methoxyphenyl)-, methyl ester
• Methyl (2-methoxyphenyl)acetate
• Methyl o-methoxyphenylacetate
• Methyl ester of o-methoxyphenylacetic acid
• 2-Hydroxyphenylacetic acid, methyl ether, methyl ester
• Acetic acid, 2-methoxyphenoxy, methyl ester

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-436.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.87	kJ/mol	Joback Calculated Property
ΔvapH°	73.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-1.74		Relay (1.0) Calculated Property
logPoct/wat	1.411		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Inp	1389.40		NIST
I	[2024.00; 2024.00]
I	2024.00		NIST
I	2024.00		NIST
Tboil	528.45	K	Relay (1.0) Calculated Property
Tfus	287.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 2-methoxy-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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