Chemical Properties of 2-HYDROXY-GAMMA-BUTYROLACTONE

InChI

InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2

InChI Key

FWIBCWKHNZBDLS-UHFFFAOYSA-N

Formula

C4H6O3

SMILES

O=C1OCCC1O

Molecular Weight¹

102.09

Other Names

• 2-Hydroxy-«gamma»butyrolactone

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.71	kJ/mol	Joback Calculated Property
logPoct/wat	-0.706		Crippen Calculated Property
McVol	69.670	ml/mol	McGowan Calculated Property
Ip	[2142.00; 2142.00]
Ip	2142.00		NIST
Ip	2142.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[95.73; 232.21]	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			-2.02900e+01
Coefficient B			5.13900e-01
Coefficient C			-3.49800e-04
Coefficient D			8.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.73	J/mol×K	273.00	Calculated Property
Cp,gas	121.65	J/mol×K	353.78	Calculated Property
Cp,gas	144.23	J/mol×K	434.56	Calculated Property
Cp,gas	163.74	J/mol×K	515.33	Calculated Property
Cp,gas	180.48	J/mol×K	596.11	Calculated Property
Cp,gas	194.71	J/mol×K	676.89	Calculated Property
Cp,gas	206.72	J/mol×K	757.67	Calculated Property
Cp,gas	216.79	J/mol×K	838.44	Calculated Property
Cp,gas	225.19	J/mol×K	919.22	Calculated Property
Cp,gas	232.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0177154; 0.0004138]	Pa×s	[255.93; 442.47]	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			-1.29442e+01
Coefficient B			2.28055e+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.			255.93
Temperature range, max.			442.47
η	0.0177154	Pa×s	255.93	Calculated Property
η	0.0090870	Pa×s	276.66	Calculated Property
η	0.0051157	Pa×s	297.38	Calculated Property
η	0.0031039	Pa×s	318.11	Calculated Property
η	0.0020019	Pa×s	338.84	Calculated Property
η	0.0013582	Pa×s	359.56	Calculated Property
η	0.0009612	Pa×s	380.29	Calculated Property
η	0.0007050	Pa×s	401.02	Calculated Property
η	0.0005331	Pa×s	421.75	Calculated Property
η	0.0004138	Pa×s	442.47	Calculated Property

Similar Compounds

Find more compounds similar to 2-HYDROXY-GAMMA-BUTYROLACTONE.

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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