Chemical Properties of Benzenepropanoic acid, .alpha.-hydroxy-, methyl ester

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

Other Names

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

• ω : Acentric Factor.
• 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).
• 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
ω	0.6527		Relay (1.0) Calculated Property
ΔfH°gas	-476.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.05	kJ/mol	Joback Calculated Property
ΔvapH°	82.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-0.65		Relay (1.0) 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	Outlier 1634.20		NIST
Inp	1320.00		NIST
Inp	1320.00		NIST
Inp	1328.00		NIST
Tboil	531.03	K	Relay (1.0) Calculated Property
Tc	754.00	K	Relay (1.0) Calculated Property
Tfus	307.32	K	Relay (1.0) Calculated Property
Vc	0.511	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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

• Cheméo Relay (1.0)
• 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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