Chemical Properties of (S)-dihydro-4-methylfuran-2(3H)-one (CAS 64190-48-3)

InChI

InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3/t4-/m1/s1

InChI Key

ALZLTHLQMAFAPA-SCSAIBSYSA-N

Formula

C5H8O2

SMILES

CC1COC(=O)C1

Molecular Weight¹

100.12

CAS

64190-48-3

Other Names

• (S)-(-)-3-Methyl-«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).
• T_boilr : Boiling point at reduced pressure (K).
• 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 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.45; 265.13]	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			-2.64900e+01
Coefficient B			5.74920e-01
Coefficient C			-3.73800e-04
Coefficient D			9.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.45	J/mol×K	273.00	Calculated Property
Cp,gas	134.13	J/mol×K	353.78	Calculated Property
Cp,gas	160.18	J/mol×K	434.56	Calculated Property
Cp,gas	182.90	J/mol×K	515.33	Calculated Property
Cp,gas	202.57	J/mol×K	596.11	Calculated Property
Cp,gas	219.47	J/mol×K	676.89	Calculated Property
Cp,gas	233.89	J/mol×K	757.67	Calculated Property
Cp,gas	246.11	J/mol×K	838.44	Calculated Property
Cp,gas	256.43	J/mol×K	919.22	Calculated Property
Cp,gas	265.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015784; 0.0003421]	Pa×s	[206.38; 398.20]	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			-9.62566e+00
Coefficient B			6.55120e+02
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.			206.38
Temperature range, max.			398.20
η	0.0015784	Pa×s	206.38	Calculated Property
η	0.0011727	Pa×s	227.69	Calculated Property
η	0.0009167	Pa×s	249.01	Calculated Property
η	0.0007450	Pa×s	270.32	Calculated Property
η	0.0006241	Pa×s	291.63	Calculated Property
η	0.0005355	Pa×s	312.94	Calculated Property
η	0.0004686	Pa×s	334.26	Calculated Property
η	0.0004167	Pa×s	355.57	Calculated Property
η	0.0003754	Pa×s	376.88	Calculated Property
η	0.0003421	Pa×s	398.20	Calculated Property

Similar Compounds

Find more compounds similar to (S)-dihydro-4-methylfuran-2(3H)-one.

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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