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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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

Property	Value	Unit	Source
ΔfG°	-322.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-533.72	kJ/mol	Joback Calculated Property
ΔfusH°	11.58	kJ/mol	Joback Calculated Property
ΔvapH°	53.18	kJ/mol	Joback Calculated Property
log10WS	-0.22		Crippen Calculated Property
logPoct/wat	-0.070		Crippen Calculated Property
McVol	97.850	ml/mol	McGowan Calculated Property
Pc	4540.80	kPa	Joback 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
Tboil	534.48	K	Joback Calculated Property
Tc	745.23	K	Joback Calculated Property
Tfus	343.55	K	Joback Calculated Property
Vc	0.356	m3/kmol	Joback Calculated Property

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-, (.+/-.)- + n-Propyl acetate
• 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

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

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