Chemical Properties of 4-(1-Hydroxyethyl)-«gamma»-butyrolactone

InChI

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

InChI Key

SDQNMZALKPBELF-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CC(O)C1COC(=O)C1

Molecular Weight¹

130.14

• 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).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.37	kJ/mol	Joback Calculated Property
logPoct/wat	-0.070		Crippen Calculated Property
McVol	97.850	ml/mol	McGowan Calculated Property
I	[2328.00; 2328.00]
I	2328.00		NIST
I	2328.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.85; 335.93]	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			-2.37900e+01
Coefficient B			7.09820e-01
Coefficient C			-4.61800e-04
Coefficient D			1.11700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.85	J/mol×K	273.00	Calculated Property
Cp,gas	174.48	J/mol×K	353.78	Calculated Property
Cp,gas	206.63	J/mol×K	434.56	Calculated Property
Cp,gas	234.65	J/mol×K	515.33	Calculated Property
Cp,gas	258.90	J/mol×K	596.11	Calculated Property
Cp,gas	279.73	J/mol×K	676.89	Calculated Property
Cp,gas	297.50	J/mol×K	757.67	Calculated Property
Cp,gas	312.55	J/mol×K	838.44	Calculated Property
Cp,gas	325.24	J/mol×K	919.22	Calculated Property
Cp,gas	335.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0242527; 0.0003527]	Pa×s	[263.47; 474.44]	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			-1.32334e+01
Coefficient B			2.50669e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			263.47
Temperature range, max.			474.44
η	0.0242527	Pa×s	263.47	Calculated Property
η	0.0111474	Pa×s	286.91	Calculated Property
η	0.0057622	Pa×s	310.35	Calculated Property
η	0.0032677	Pa×s	333.79	Calculated Property
η	0.0019964	Pa×s	357.23	Calculated Property
η	0.0012959	Pa×s	380.68	Calculated Property
η	0.0008845	Pa×s	404.12	Calculated Property
η	0.0006295	Pa×s	427.56	Calculated Property
η	0.0004642	Pa×s	451.00	Calculated Property
η	0.0003527	Pa×s	474.44	Calculated Property

Similar Compounds

Find more compounds similar to 4-(1-Hydroxyethyl)-«gamma»-butyrolactone.

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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