Chemical Properties of 2(3H)-Furanone, 5-ethyldihydro- (CAS 695-06-7)

InChI

InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3

InChI Key

JBFHTYHTHYHCDJ-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

CCC1CCC(=O)O1

Molecular Weight¹

114.14

CAS

695-06-7

Other Names

• .gamma.-caprolactone
• 2(3H)-Furanone-5-ethyldihydro-5
• 4-Ethyl-4-butanolide
• 4-Ethylbutanolide
• 4-Hexanolide
• 4-Hydroxyhexanoic acid lactone
• 4-ethylbutanolide («gamma»-hexalactone)
• 5-Ethyldihydrofuran-2(3H)-one
• 5-Ethyltetrahydro-2-furanone
• 5-ethyldihydro-2(3H)-furanone
• 6-Caprolactone
• Dihydro-5-ethyl-2(3H)-furanone
• Furan-2-one (3 H) 5-ethyl(dihydro)
• Hexan-4-olide
• Hexanoic acid, 4-hydroxy-, lactone
• Hexanoic acid, 4-hydroxy-, «gamma»-lactone
• Hexanolide-1,4
• NSC 134769
• NSC 24255
• Tonkalide
• Toukalide
• hexa-4-olide
• «gamma»-Caprolactone
• «gamma»-Ethyl-n-butyrolactone
• «gamma»-Ethyl-«gamma»-butyrolactone
• «gamma»-Ethylbutyrolactone
• «gamma»-Hexalactone
• «gamma»-Hexanolactone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-411.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.80	kJ/mol	Joback Calculated Property
ΔvapH°	[55.30; 57.20]	kJ/mol
ΔvapH°	57.20 ± 0.30	kJ/mol	NIST
ΔvapH°	55.30 ± 0.60	kJ/mol	NIST
logPoct/wat	1.102		Crippen Calculated Property
McVol	91.980	ml/mol	McGowan Calculated Property
Inp	[1003.00; 1074.00]
Inp	1054.00		NIST
Inp	1040.00		NIST
Inp	1005.00		NIST
Inp	1003.00		NIST
Inp	1066.00		NIST
Inp	1006.00		NIST
Inp	1003.00		NIST
Inp	1020.00		NIST
Inp	1025.00		NIST
Inp	1074.00		NIST
Inp	1056.00		NIST
Inp	1047.00		NIST
Inp	1063.00		NIST
Inp	1056.00		NIST
Inp	1019.00		NIST
Inp	1003.00		NIST
Inp	1068.00		NIST
Inp	1066.00		NIST
Inp	1036.00		NIST
Inp	1038.00		NIST
Inp	1054.00		NIST
Inp	1057.00		NIST
Inp	1009.00		NIST
Inp	1064.00		NIST
Inp	1055.20		NIST
Inp	1040.00		NIST
Inp	1055.00		NIST
Inp	1003.00		NIST
Inp	1072.00		NIST
Inp	1005.00		NIST
Inp	1008.00		NIST
Inp	1015.00		NIST
Inp	1003.00		NIST
Inp	1003.00		NIST
Inp	1023.00		NIST
Inp	1010.00		NIST
Inp	1043.00		NIST
Inp	1047.00		NIST
Inp	1062.00		NIST
Inp	1062.00		NIST
Inp	1005.00		NIST
Inp	1059.00		NIST
Inp	1003.00		NIST
Inp	1007.00		NIST
Inp	1013.00		NIST
Inp	1003.00		NIST
Inp	1032.00		NIST
Inp	1043.00		NIST
Inp	1059.00		NIST
Inp	1032.00		NIST
Inp	1074.00		NIST
Inp	1019.00		NIST
Inp	1006.00		NIST
Ip	[1655.00; 1745.00]
Ip	1671.00		NIST
Ip	Outlier 1745.00		NIST
Ip	1669.00		NIST
Ip	1717.00		NIST
Ip	1717.00		NIST
Ip	1703.00		NIST
Ip	1694.00		NIST
Ip	1703.00		NIST
Ip	1685.00		NIST
Ip	1678.00		NIST
Ip	1723.00		NIST
Ip	1683.00		NIST
Ip	1690.00		NIST
Ip	1736.00		NIST
Ip	1682.00		NIST
Ip	1694.00		NIST
Ip	1694.00		NIST
Ip	1693.00		NIST
Ip	1665.00		NIST
Ip	1689.00		NIST
Ip	1682.00		NIST
Ip	1708.00		NIST
Ip	1682.00		NIST
Ip	1723.00		NIST
Ip	1724.00		NIST
Ip	1661.00		NIST
Ip	1661.00		NIST
Ip	1661.00		NIST
Ip	1679.00		NIST
Ip	1673.00		NIST
Ip	1678.00		NIST
Ip	1698.00		NIST
Ip	1728.00		NIST
Ip	1724.00		NIST
Ip	1710.00		NIST
Ip	1672.00		NIST
Ip	1709.00		NIST
Ip	1710.00		NIST
Ip	1664.00		NIST
Ip	1682.00		NIST
Ip	1706.00		NIST
Ip	1715.00		NIST
Ip	1699.00		NIST
Ip	1721.00		NIST
Ip	1696.00		NIST
Ip	1682.00		NIST
Ip	1688.00		NIST
Ip	1655.00		NIST
Ip	1720.00		NIST
Ip	1671.00		NIST
Ip	1660.00		NIST
Ip	1660.00		NIST
Ip	1694.00		NIST
Ip	1710.00		NIST
Ip	1715.00		NIST
Ip	1683.00		NIST
Ip	1684.00		NIST
Ip	1710.00		NIST
Ip	1715.00		NIST
Ip	1680.00		NIST
Ip	1694.00		NIST
Ip	1714.00		NIST
Ip	1721.00		NIST
Ip	1687.00		NIST
Ip	1722.00		NIST
Ip	1696.00		NIST
Ip	1691.00		NIST
Ip	1726.00		NIST
Ip	1679.00		NIST
Ip	1709.00		NIST
Ip	1661.00		NIST
Ip	1678.00		NIST
Ip	1717.00		NIST
Ip	1671.00		NIST
Tboil	492.20	K	NIST
Tfus	255.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	57.40	kJ/mol	298.15	Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
Pvap	[6.12e-03; 1.37]	kPa	[283.10; 353.30]
Pvap	0.07	kPa	283.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
Pvap	6.12e-03	kPa	283.30	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	6.43e-03	kPa	284.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	7.33e-03	kPa	285.30	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	9.98e-03	kPa	288.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.01	kPa	290.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.13	kPa	293.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
Pvap	0.01	kPa	293.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	295.30	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	298.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.03	kPa	300.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.22	kPa	303.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
Pvap	0.03	kPa	303.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.04	kPa	305.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.05	kPa	308.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.05	kPa	310.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.36	kPa	312.90	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
Pvap	0.07	kPa	313.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.07	kPa	315.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.09	kPa	318.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.13	kPa	323.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.56	kPa	323.30	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
Pvap	0.17	kPa	328.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.23	kPa	333.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.86	kPa	333.30	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
Pvap	0.31	kPa	338.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	1.37	kPa	343.10	Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
Pvap	0.41	kPa	343.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.54	kPa	348.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.62	kPa	350.90	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.70	kPa	353.30	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
ρl	[998.23; 1029.16]	kg/m3	[288.15; 323.15]
ρl	1029.16	kg/m3	288.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρl	1024.74	kg/m3	293.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρl	1020.33	kg/m3	298.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρl	1015.91	kg/m3	303.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρl	1011.49	kg/m3	308.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρl	1007.07	kg/m3	313.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρl	1002.65	kg/m3	318.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
ρl	998.23	kg/m3	323.15	Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.66; 316.72]	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			-2.73990e+01
Coefficient B			6.69920e-01
Coefficient C			-4.28200e-04
Coefficient D			1.02400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.66	J/mol×K	273.00	Calculated Property
Cp,gas	160.54	J/mol×K	353.78	Calculated Property
Cp,gas	191.26	J/mol×K	434.56	Calculated Property
Cp,gas	218.13	J/mol×K	515.33	Calculated Property
Cp,gas	241.48	J/mol×K	596.11	Calculated Property
Cp,gas	261.63	J/mol×K	676.89	Calculated Property
Cp,gas	278.90	J/mol×K	757.67	Calculated Property
Cp,gas	293.63	J/mol×K	838.44	Calculated Property
Cp,gas	306.13	J/mol×K	919.22	Calculated Property
Cp,gas	316.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011628; 0.0003779]	Pa×s	[255.15; 413.36]	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			-9.69354e+00
Coefficient B			7.49280e+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.			255.15
Temperature range, max.			413.36
η	0.0011628	Pa×s	255.15	Calculated Property
η	0.0009623	Pa×s	272.73	Calculated Property
η	0.0008148	Pa×s	290.31	Calculated Property
η	0.0007032	Pa×s	307.89	Calculated Property
η	0.0006166	Pa×s	325.46	Calculated Property
η	0.0005480	Pa×s	343.04	Calculated Property
η	0.0004926	Pa×s	360.62	Calculated Property
η	0.0004473	Pa×s	378.20	Calculated Property
η	0.0004096	Pa×s	395.78	Calculated Property
η	0.0003779	Pa×s	413.36	Calculated Property

Similar Compounds

Find more compounds similar to 2(3H)-Furanone, 5-ethyldihydro-.

Mixtures

• Carbon dioxide + 2(3H)-Furanone, 5-ethyldihydro-
• 2(3H)-Furanone, 5-ethyldihydro- + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
• Vapour pressures and enthalpies of vapourization of a series of the c-lactones
• Phase behaviour of binary systems of lactones in carbon dioxide
• Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
• Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
• Joback Method
• McGowan Method
• NIST Webbook

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