Chemical Properties of Benzeneacetic acid, .alpha.-hydroxy-4-methoxy-, methyl ester

InChI

InChI=1S/C10H12O4/c1-13-8-5-3-7(4-6-8)9(11)10(12)14-2/h3-6,9,11H,1-2H3

InChI Key

RXVKSXZEZOODTF-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

COC(=O)C(O)c1ccc(OC)cc1

Molecular Weight¹

196.20

Other Names

• Mandelic acid, p-methoxy-, methyl ester
• Methyl p-methoxymandelate
• Acetic acid, «alpha»-hydroxy-«alpha»-(4-methoxyphenyl), methyl ester
• Acetic acid, hydroxy-(4-methoxyphenyl), methyl ester
• Methyl 4-methoxymandelate

• 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.
• 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	-613.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.43	kJ/mol	Joback Calculated Property
ΔvapH°	83.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-1.02		Relay (1.0) Calculated Property
logPoct/wat	0.902		Crippen Calculated Property
McVol	147.180	ml/mol	McGowan Calculated Property
Inp	[1496.00; 1517.00]
Inp	1517.00		NIST
Inp	1517.00		NIST
Inp	1496.00		NIST
Inp	1496.00		NIST
Tboil	546.12	K	Relay (1.0) Calculated Property
Tfus	330.71	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	[371.56; 429.23]	J/mol×K	[632.44; 831.72]
Cp,gas	371.56	J/mol×K	632.44	Joback Calculated Property
Cp,gas	382.83	J/mol×K	665.65	Joback Calculated Property
Cp,gas	393.43	J/mol×K	698.87	Joback Calculated Property
Cp,gas	403.37	J/mol×K	732.08	Joback Calculated Property
Cp,gas	412.65	J/mol×K	765.29	Joback Calculated Property
Cp,gas	421.27	J/mol×K	798.51	Joback Calculated Property
Cp,gas	429.23	J/mol×K	831.72	Joback Calculated Property
η	[0.0000442; 0.0036694]	Pa×s	[351.78; 632.44]
η	0.0036694	Pa×s	351.78	Joback Calculated Property
η	0.0011402	Pa×s	398.56	Joback Calculated Property
η	0.0004529	Pa×s	445.33	Joback Calculated Property
η	0.0002144	Pa×s	492.11	Joback Calculated Property
η	0.0001156	Pa×s	538.89	Joback Calculated Property
η	0.0000688	Pa×s	585.66	Joback Calculated Property
η	0.0000442	Pa×s	632.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, .alpha.-hydroxy-4-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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