Chemical Properties of Benzenepropanoic acid, «alpha»-hydroxy-, methyl ester (CAS 13674-16-3)

InChI

InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3

InChI Key

NMPPJJIBQQCOOI-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

COC(=O)C(O)Cc1ccccc1

Molecular Weight¹

180.20

CAS

13674-16-3

Other Names

• Lactic acid, 3-phenyl-, methyl ester
• «beta»-Phenyllactic acid methyl ester
• Methyl 2-hydroxy-3-phenylpropionate
• Methyl 2-hydroxy-3-phenylpropanoate

• 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°	-227.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.51	kJ/mol	Joback Calculated Property
ΔfusH°	19.05	kJ/mol	Joback Calculated Property
ΔvapH°	65.58	kJ/mol	Joback Calculated Property
log10WS	-1.35		Crippen Calculated Property
logPoct/wat	0.763		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Pc	3456.14	kPa	Joback Calculated Property
Inp	[1320.00; 1634.20]
Inp	1328.00		NIST
Inp	1336.00		NIST
Inp	1634.20		NIST
Inp	1320.00		NIST
Inp	1328.00		NIST
Tboil	622.91	K	Joback Calculated Property
Tc	825.20	K	Joback Calculated Property
Tfus	346.86	K	Joback Calculated Property
Vc	0.524	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.77; 410.23]	J/mol×K	[622.91; 825.20]
Cp,gas	351.77	J/mol×K	622.91	Joback Calculated Property
Cp,gas	363.16	J/mol×K	656.63	Joback Calculated Property
Cp,gas	373.87	J/mol×K	690.34	Joback Calculated Property
Cp,gas	383.91	J/mol×K	724.06	Joback Calculated Property
Cp,gas	393.31	J/mol×K	757.77	Joback Calculated Property
Cp,gas	402.07	J/mol×K	791.49	Joback Calculated Property
Cp,gas	410.23	J/mol×K	825.20	Joback Calculated Property
η	[0.0000642; 0.0050139]	Pa×s	[346.86; 622.91]
η	0.0050139	Pa×s	346.86	Joback Calculated Property
η	0.0015849	Pa×s	392.87	Joback Calculated Property
η	0.0006378	Pa×s	438.88	Joback Calculated Property
η	0.0003051	Pa×s	484.88	Joback Calculated Property
η	0.0001658	Pa×s	530.89	Joback Calculated Property
η	0.0000993	Pa×s	576.90	Joback Calculated Property
η	0.0000642	Pa×s	622.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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