Chemical Properties of Benzeneacetic acid, «alpha»-hydroxy-, ethyl ester, (R)- (CAS 10606-72-1)

InChI

InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m0/s1

InChI Key

SAXHIDRUJXPDOD-VIFPVBQESA-N

Formula

C10H12O3

SMILES

CCOC(=O)C(O)c1ccccc1

Molecular Weight¹

180.20

CAS

10606-72-1

Other Names

• Ethyl (R)-(-)-mandelate

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.89; 444.03]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.10890e+01
Coefficient B			8.60020e-01
Coefficient C			-4.90400e-04
Coefficient D			8.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.89	J/mol×K	273.00	Calculated Property
Cp,gas	235.57	J/mol×K	353.78	Calculated Property
Cp,gas	277.05	J/mol×K	434.56	Calculated Property
Cp,gas	313.57	J/mol×K	515.33	Calculated Property
Cp,gas	345.43	J/mol×K	596.11	Calculated Property
Cp,gas	372.87	J/mol×K	676.89	Calculated Property
Cp,gas	396.19	J/mol×K	757.67	Calculated Property
Cp,gas	415.64	J/mol×K	838.44	Calculated Property
Cp,gas	431.50	J/mol×K	919.22	Calculated Property
Cp,gas	444.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0107529; 0.0000943]	Pa×s	[317.03; 563.60]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.53599e+01
Coefficient B			3.43259e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			317.03
Temperature range, max.			563.60
η	0.0107529	Pa×s	317.03	Calculated Property
η	0.0045447	Pa×s	344.43	Calculated Property
η	0.0021807	Pa×s	371.82	Calculated Property
η	0.0011573	Pa×s	399.22	Calculated Property
η	0.0006663	Pa×s	426.61	Calculated Property
η	0.0004100	Pa×s	454.01	Calculated Property
η	0.0002666	Pa×s	481.41	Calculated Property
η	0.0001816	Pa×s	508.80	Calculated Property
η	0.0001287	Pa×s	536.20	Calculated Property
η	0.0000943	Pa×s	563.60	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, «alpha»-hydroxy-, ethyl ester, (R)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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