Chemical Properties of (S)-5-Hydroxymethyl-2[5H]-furanone

InChI

InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m0/s1

InChI Key

AWNLUIGMHSSXHB-SCSAIBSYSA-N

Formula

C5H6O3

SMILES

O=C1C=C[C@@H](CO)O1

Molecular Weight¹

114.10

• 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).
• IE : Ionization energy (eV).
• 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 formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[110.47; 252.50]	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			-1.34190e+01
Coefficient B			5.52900e-01
Coefficient C			-3.91480e-04
Coefficient D			1.04500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	110.47	J/mol×K	273.00	Calculated Property
Cp,gas	137.81	J/mol×K	353.78	Calculated Property
Cp,gas	161.50	J/mol×K	434.56	Calculated Property
Cp,gas	181.85	J/mol×K	515.33	Calculated Property
Cp,gas	199.19	J/mol×K	596.11	Calculated Property
Cp,gas	213.87	J/mol×K	676.89	Calculated Property
Cp,gas	226.21	J/mol×K	757.67	Calculated Property
Cp,gas	236.54	J/mol×K	838.44	Calculated Property
Cp,gas	245.20	J/mol×K	919.22	Calculated Property
Cp,gas	252.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0131004; 0.0003847]	Pa×s	[267.96; 457.90]	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			-1.28399e+01
Coefficient B			2.27895e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			267.96
Temperature range, max.			457.90
η	0.0131004	Pa×s	267.96	Calculated Property
η	0.0070408	Pa×s	289.06	Calculated Property
η	0.0041177	Pa×s	310.17	Calculated Property
η	0.0025785	Pa×s	331.27	Calculated Property
η	0.0017078	Pa×s	352.38	Calculated Property
η	0.0011850	Pa×s	373.48	Calculated Property
η	0.0008551	Pa×s	394.58	Calculated Property
η	0.0006377	Pa×s	415.69	Calculated Property
η	0.0004893	Pa×s	436.79	Calculated Property
η	0.0003847	Pa×s	457.90	Calculated Property

Similar Compounds

Find more compounds similar to (S)-5-Hydroxymethyl-2[5H]-furanone.

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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