Chemical Properties of Dihydro-5-(hydroxymethyl)-2(3H)-furanone

InChI

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

InChI Key

IPNRODMULRDGPT-UHFFFAOYSA-N

Formula

C5H6O3

SMILES

O=C1CC=C(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).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.06	kJ/mol	Joback Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.191		Crippen Calculated Property
McVol	79.460	ml/mol	McGowan Calculated Property
I	[2516.00; 2516.00]
I	2516.00		NIST
I	2516.00		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, 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	[110.76; 242.80]	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			-5.05900e+00
Coefficient B			5.19900e-01
Coefficient C			-3.79840e-04
Coefficient D			1.07800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	110.76	J/mol×K	273.00	Calculated Property
Cp,gas	136.10	J/mol×K	353.78	Calculated Property
Cp,gas	157.98	J/mol×K	434.56	Calculated Property
Cp,gas	176.74	J/mol×K	515.33	Calculated Property
Cp,gas	192.72	J/mol×K	596.11	Calculated Property
Cp,gas	206.25	J/mol×K	676.89	Calculated Property
Cp,gas	217.69	J/mol×K	757.67	Calculated Property
Cp,gas	227.36	J/mol×K	838.44	Calculated Property
Cp,gas	235.62	J/mol×K	919.22	Calculated Property
Cp,gas	242.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102463; 0.0003492]	Pa×s	[284.72; 465.72]	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			-1.32749e+01
Coefficient B			2.47538e+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.			284.72
Temperature range, max.			465.72
η	0.0102463	Pa×s	284.72	Calculated Property
η	0.0057738	Pa×s	304.83	Calculated Property
η	0.0034929	Pa×s	324.94	Calculated Property
η	0.0022406	Pa×s	345.05	Calculated Property
η	0.0015093	Pa×s	365.16	Calculated Property
η	0.0010595	Pa×s	385.28	Calculated Property
η	0.0007703	Pa×s	405.39	Calculated Property
η	0.0005772	Pa×s	425.50	Calculated Property
η	0.0004439	Pa×s	445.61	Calculated Property
η	0.0003492	Pa×s	465.72	Calculated Property

Similar Compounds

Find more compounds similar to Dihydro-5-(hydroxymethyl)-2(3H)-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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