Chemical Properties of Benzenepropanoic acid, «alpha»-hydroxy-4-methoxy-, methyl ester (CAS 55301-58-1)

InChI

InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2/h3-6,10,12H,7H2,1-2H3

InChI Key

LDDFEROTLHOWEW-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COC(=O)C(O)Cc1ccc(OC)cc1

Molecular Weight¹

210.23

CAS

55301-58-1

Other Names

• Propanoic acid, 2-hydroxy-3-(4-methoxyphenyl), methyl ester
• Lactic acid, 3-(p-methoxyphenyl)-, methyl ester

• 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°	-333.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-579.84	kJ/mol	Joback Calculated Property
ΔfusH°	22.44	kJ/mol	Joback Calculated Property
ΔvapH°	70.88	kJ/mol	Joback Calculated Property
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	0.772		Crippen Calculated Property
McVol	161.270	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
Inp	[1540.00; 1595.00]
Inp	1540.00		NIST
Inp	1595.00		NIST
Inp	1576.00		NIST
Inp	1576.00		NIST
Inp	1540.00		NIST
Inp	1595.00		NIST
Tboil	673.19	K	Joback Calculated Property
Tc	872.12	K	Joback Calculated Property
Tfus	392.88	K	Joback Calculated Property
Vc	0.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.11; 484.42]	J/mol×K	[673.19; 872.12]
Cp,gas	424.11	J/mol×K	673.19	Joback Calculated Property
Cp,gas	435.85	J/mol×K	706.34	Joback Calculated Property
Cp,gas	446.91	J/mol×K	739.50	Joback Calculated Property
Cp,gas	457.29	J/mol×K	772.65	Joback Calculated Property
Cp,gas	467.00	J/mol×K	805.81	Joback Calculated Property
Cp,gas	476.04	J/mol×K	838.96	Joback Calculated Property
Cp,gas	484.42	J/mol×K	872.12	Joback Calculated Property
η	[0.0000389; 0.0017217]	Pa×s	[392.88; 673.19]
η	0.0017217	Pa×s	392.88	Joback Calculated Property
η	0.0006544	Pa×s	439.60	Joback Calculated Property
η	0.0002995	Pa×s	486.32	Joback Calculated Property
η	0.0001572	Pa×s	533.04	Joback Calculated Property
η	0.0000916	Pa×s	579.75	Joback Calculated Property
η	0.0000578	Pa×s	626.47	Joback Calculated Property
η	0.0000389	Pa×s	673.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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