Chemical Properties of Mandelic acid, alpha-cyclopentyl

InChI

InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)

InChI Key

WFLUEQCOAQCQLP-UHFFFAOYSA-N

Formula

C13H16O3

SMILES

O=C(O)C(O)(c1ccccc1)C1CCCC1

Molecular Weight¹

220.27

Other Names

• cyclopentylphenylglycolic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.44; 585.70]	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			-1.17900e+02
Coefficient B			1.50220e+00
Coefficient C			-1.11680e-03
Coefficient D			3.18200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.44	J/mol×K	273.00	Calculated Property
Cp,gas	287.86	J/mol×K	353.78	Calculated Property
Cp,gas	350.11	J/mol×K	434.56	Calculated Property
Cp,gas	403.19	J/mol×K	515.33	Calculated Property
Cp,gas	448.13	J/mol×K	596.11	Calculated Property
Cp,gas	485.91	J/mol×K	676.89	Calculated Property
Cp,gas	517.56	J/mol×K	757.67	Calculated Property
Cp,gas	544.07	J/mol×K	838.44	Calculated Property
Cp,gas	566.44	J/mol×K	919.22	Calculated Property
Cp,gas	585.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007356; 0.0000622]	Pa×s	[497.43; 702.65]	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			-1.56742e+01
Coefficient B			4.20791e+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.			497.43
Temperature range, max.			702.65
η	0.0007356	Pa×s	497.43	Calculated Property
η	0.0005077	Pa×s	520.23	Calculated Property
η	0.0003615	Pa×s	543.04	Calculated Property
η	0.0002645	Pa×s	565.84	Calculated Property
η	0.0001983	Pa×s	588.64	Calculated Property
η	0.0001519	Pa×s	611.44	Calculated Property
η	0.0001186	Pa×s	634.25	Calculated Property
η	0.0000942	Pa×s	657.05	Calculated Property
η	0.0000760	Pa×s	679.85	Calculated Property
η	0.0000622	Pa×s	702.65	Calculated Property

Similar Compounds

Find more compounds similar to Mandelic acid, alpha-cyclopentyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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