Chemical Properties of 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- (CAS 79-50-5)

InChI

InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3

InChI Key

SERHXTVXHNVDKA-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CC1(C)COC(=O)C1O

Molecular Weight¹

130.14

CAS

79-50-5

Other Names

• (+/-)-Pantoyl lactone
• (±)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (±)-
• 2,4-Dihydroxy-3,3-dimethylbutanoic acid «gamma»-lactone
• 2-hydroxy-3,3-dimethyl-.gamma.-butyrolactone
• 3-Hydroxy-4,4-dimethyldihydro-2(3H)-furanone
• 3-hydroxy-4,4-dimethyl-2-tetrahydrofuranone
• DL-Pantoic acid «gamma»-lactone
• Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone
• RS-pantolactone
• dl-pantolactone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.58	kJ/mol	Joback Calculated Property
logPoct/wat	-0.070		Crippen Calculated Property
McVol	97.850	ml/mol	McGowan Calculated Property
Inp	1031.80		NIST
I	[2034.00; 2070.00]
I	2034.00		NIST
I	2070.00		NIST
I	2070.00		NIST
I	2034.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.67; 302.32]	J/mol×K	[534.48; 745.23]
Cp,gas	242.67	J/mol×K	534.48	Joback Calculated Property
Cp,gas	253.86	J/mol×K	569.60	Joback Calculated Property
Cp,gas	264.47	J/mol×K	604.73	Joback Calculated Property
Cp,gas	274.55	J/mol×K	639.85	Joback Calculated Property
Cp,gas	284.18	J/mol×K	674.98	Joback Calculated Property
Cp,gas	293.41	J/mol×K	710.10	Joback Calculated Property
Cp,gas	302.32	J/mol×K	745.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-.

Mixtures

• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Pentane
• n-Hexane + 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Heptane
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Octane
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Cyclohexane
• Cyclohexane, ethyl- + 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Cyclohexane, methyl-
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Ethyl ether
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Di-n-propyl ether
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Tetrahydrofuran
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Ethanol
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Ethyl Acetate
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Acetic acid, propyl ester
• 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)- + Acetone
• Benzene + 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-
• Toluene + 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-
• Acetonitrile + 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-
• Carbon dioxide + 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-

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
• Thermodynamic Properties of Mixtures Containing Precursors of Vitamin B5
• Joback Method
• McGowan Method
• NIST Webbook

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