Chemical Properties of Benzeneacetic acid, «alpha»-hydroxy-4-methoxy-, methyl ester (CAS 13305-14-1)

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

CAS

13305-14-1

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	-342.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-559.20	kJ/mol	Joback Calculated Property
ΔfusH°	19.85	kJ/mol	Joback Calculated Property
ΔvapH°	68.65	kJ/mol	Joback Calculated Property
log10WS	-1.40		Crippen Calculated Property
logPoct/wat	0.902		Crippen Calculated Property
McVol	147.180	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[1496.00; 1517.00]
Inp	1517.00		NIST
Inp	1517.00		NIST
Inp	1496.00		NIST
Tboil	650.31	K	Joback Calculated Property
Tc	851.71	K	Joback Calculated Property
Tfus	381.61	K	Joback Calculated Property
Vc	0.542	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.48; 431.45]	J/mol×K	[650.31; 851.71]
Cp,gas	374.48	J/mol×K	650.31	Joback Calculated Property
Cp,gas	385.54	J/mol×K	683.88	Joback Calculated Property
Cp,gas	395.98	J/mol×K	717.44	Joback Calculated Property
Cp,gas	405.80	J/mol×K	751.01	Joback Calculated Property
Cp,gas	414.98	J/mol×K	784.57	Joback Calculated Property
Cp,gas	423.53	J/mol×K	818.14	Joback Calculated Property
Cp,gas	431.45	J/mol×K	851.71	Joback Calculated Property
η	[0.0000462; 0.0020044]	Pa×s	[381.61; 650.31]
η	0.0020044	Pa×s	381.61	Joback Calculated Property
η	0.0007688	Pa×s	426.39	Joback Calculated Property
η	0.0003538	Pa×s	471.18	Joback Calculated Property
η	0.0001863	Pa×s	515.96	Joback Calculated Property
η	0.0001087	Pa×s	560.74	Joback Calculated Property
η	0.0000686	Pa×s	605.53	Joback Calculated Property
η	0.0000462	Pa×s	650.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»-hydroxy-4-methoxy-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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