Chemical Properties of Cyclopentanecarboxylic acid, 3alpha-hydroxy-, gamma-lactone

InChI

InChI=1S/C6H8O2/c7-6-4-1-2-5(3-4)8-6/h4-5H,1-3H2

InChI Key

PXIPIYIAXWNZCU-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

O=C1OC2CCC1C2

Molecular Weight¹

112.13

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[107.11; 294.68]	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			-7.25200e+01
Coefficient B			8.30400e-01
Coefficient C			-6.94800e-04
Coefficient D			2.31600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.11	J/mol×K	273.00	Calculated Property
Cp,gas	144.55	J/mol×K	353.78	Calculated Property
Cp,gas	176.14	J/mol×K	434.56	Calculated Property
Cp,gas	202.59	J/mol×K	515.33	Calculated Property
Cp,gas	224.65	J/mol×K	596.11	Calculated Property
Cp,gas	243.05	J/mol×K	676.89	Calculated Property
Cp,gas	258.52	J/mol×K	757.67	Calculated Property
Cp,gas	271.80	J/mol×K	838.44	Calculated Property
Cp,gas	283.60	J/mol×K	919.22	Calculated Property
Cp,gas	294.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007056; 0.0006805]	Pa×s	[239.11; 420.90]	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			-7.34036e+00
Coefficient B			2.00700e+01
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.			239.11
Temperature range, max.			420.90
η	0.0007056	Pa×s	239.11	Calculated Property
η	0.0007010	Pa×s	259.31	Calculated Property
η	0.0006971	Pa×s	279.51	Calculated Property
η	0.0006938	Pa×s	299.71	Calculated Property
η	0.0006908	Pa×s	319.91	Calculated Property
η	0.0006883	Pa×s	340.11	Calculated Property
η	0.0006860	Pa×s	360.30	Calculated Property
η	0.0006840	Pa×s	380.50	Calculated Property
η	0.0006821	Pa×s	400.70	Calculated Property
η	0.0006805	Pa×s	420.90	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 3alpha-hydroxy-, gamma-lactone.

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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