Chemical Properties of 2(3H)-Furanone, 5-hexyldihydro- (CAS 706-14-9)

InChI

InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3

InChI Key

IFYYFLINQYPWGJ-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CCCCCCC1CCC(=O)O1

Molecular Weight¹

170.25

CAS

706-14-9

Other Names

• (.+/-.)-«gamma»-Decanolactone
• .gamma.-decalactone
• 4-Decalactone
• 4-Hexyl-4-butanolide
• 4-Hexyl-«gamma»-butyrolactone
• 4-Hydroxydecanoic acid lactone
• 4-Hydroxydecanoic acid, «gamma»-lactone
• 4-decanolide
• 4-hydroxydecanoic acid .gamma.-lactone
• 5-Hexyldihydro-2(3H)-furanone
• 5-Hexyltetrahydro-2-furanone
• Decan-4-olide
• Decanoic acid, 4-hydroxy-, «gamma»-lactone
• Decanoic acid, «gamma»-lactone
• Decanolactone
• Decanolide-1,4
• Hydroxydecanoic acid «gamma»-lactone
• NSC 24248
• NSC 26510
• «gamma»-Decalactone
• «gamma»-Decanolactone
• «gamma»-Decanolide
• «gamma»-Hexyl-«gamma»-butyrolactone
• «gamma»-Hexylbutyrolactone
• «gamma»-n-Decalactone
• «gamma»-n-Hexyl-«gamma»-butyrolactone

• 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_fH°_liquid : Liquid phase 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).
• 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	-496.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-559.00 ± 2.00	kJ/mol	NIST
ΔfusH°	24.16	kJ/mol	Joback Calculated Property
ΔvapH°	[63.00; 75.60]	kJ/mol
ΔvapH°	75.60 ± 0.30	kJ/mol	NIST
ΔvapH°	63.00 ± 1.00	kJ/mol	NIST
ΔvapH°	63.00	kJ/mol	NIST
logPoct/wat	2.662		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Inp	[1414.60; 1504.00]
Inp	1431.40		NIST
Inp	1463.00		NIST
Inp	1428.00		NIST
Inp	1419.00		NIST
Inp	1423.00		NIST
Inp	1428.00		NIST
Inp	1422.00		NIST
Inp	1424.00		NIST
Inp	1422.00		NIST
Inp	1425.00		NIST
Inp	1418.00		NIST
Inp	1465.00		NIST
Inp	1490.00		NIST
Inp	1485.00		NIST
Inp	1486.00		NIST
Inp	1470.00		NIST
Inp	1494.00		NIST
Inp	1468.00		NIST
Inp	1472.00		NIST
Inp	1414.60		NIST
Inp	1472.00		NIST
Inp	1463.00		NIST
Inp	1431.00		NIST
Inp	1478.00		NIST
Inp	Outlier 1503.00		NIST
Inp	Outlier 1504.00		NIST
Inp	1476.00		NIST
Inp	1474.00		NIST
Inp	1472.60		NIST
Inp	1470.00		NIST
Inp	1462.00		NIST
Inp	1465.00		NIST
Inp	1472.00		NIST
Inp	1470.00		NIST
Inp	1467.00		NIST
Inp	1450.00		NIST
Inp	1472.00		NIST
Inp	1470.00		NIST
Inp	1472.00		NIST
Inp	1472.00		NIST
Inp	1468.00		NIST
Inp	1448.00		NIST
Inp	1467.00		NIST
Inp	1467.00		NIST
Inp	1416.00		NIST
Inp	1423.00		NIST
Inp	1475.00		NIST
Inp	1466.00		NIST
Inp	1418.00		NIST
Inp	1418.00		NIST
Inp	1476.00		NIST
Inp	1487.00		NIST
Inp	1429.00		NIST
Inp	1429.00		NIST
Inp	1422.00		NIST
Inp	1435.00		NIST
Inp	1470.00		NIST
Inp	1477.00		NIST
Inp	1430.00		NIST
Inp	1428.00		NIST
Inp	1462.00		NIST
Inp	1470.00		NIST
Inp	1454.00		NIST
Inp	1475.00		NIST
Inp	1437.00		NIST
Inp	1437.00		NIST
Inp	1439.00		NIST
Inp	1437.00		NIST
Inp	1429.00		NIST
Inp	1445.00		NIST
Inp	1470.00		NIST
Inp	1470.00		NIST
Inp	1418.00		NIST
Inp	1465.00		NIST
Inp	1494.00		NIST
Inp	1463.00		NIST
Inp	1476.00		NIST
Inp	1431.40		NIST
Inp	1435.00		NIST
Inp	1462.00		NIST
Inp	1437.00		NIST
Inp	1470.00		NIST
Ip	[2090.00; 2185.00]
Ip	2101.00		NIST
Ip	2098.00		NIST
Ip	2113.00		NIST
Ip	2151.00		NIST
Ip	2153.00		NIST
Ip	2096.00		NIST
Ip	2144.00		NIST
Ip	2136.00		NIST
Ip	2136.00		NIST
Ip	2144.00		NIST
Ip	2126.00		NIST
Ip	2149.00		NIST
Ip	2103.00		NIST
Ip	2139.00		NIST
Ip	2142.00		NIST
Ip	2137.00		NIST
Ip	2138.00		NIST
Ip	2143.00		NIST
Ip	2131.00		NIST
Ip	2136.00		NIST
Ip	2136.00		NIST
Ip	2136.00		NIST
Ip	2153.00		NIST
Ip	2116.00		NIST
Ip	2185.00		NIST
Ip	2151.00		NIST
Ip	2158.00		NIST
Ip	2127.00		NIST
Ip	2135.00		NIST
Ip	2138.00		NIST
Ip	2110.00		NIST
Ip	2179.00		NIST
Ip	2140.00		NIST
Ip	2106.00		NIST
Ip	2149.00		NIST
Ip	2140.00		NIST
Ip	2140.00		NIST
Ip	2138.00		NIST
Ip	2183.00		NIST
Ip	2131.00		NIST
Ip	2110.00		NIST
Ip	2141.00		NIST
Ip	2175.00		NIST
Ip	2177.00		NIST
Ip	2185.00		NIST
Ip	2144.00		NIST
Ip	2178.00		NIST
Ip	2152.00		NIST
Ip	2132.00		NIST
Ip	2165.00		NIST
Ip	2145.00		NIST
Ip	2126.00		NIST
Ip	2165.00		NIST
Ip	2160.00		NIST
Ip	2152.00		NIST
Ip	2125.00		NIST
Ip	2127.00		NIST
Ip	2164.00		NIST
Ip	2162.00		NIST
Ip	2130.00		NIST
Ip	2165.00		NIST
Ip	2130.00		NIST
Ip	2178.00		NIST
Ip	2109.00		NIST
Ip	2109.00		NIST
Ip	2123.00		NIST
Ip	2170.00		NIST
Ip	2142.00		NIST
Ip	2129.00		NIST
Ip	2131.00		NIST
Ip	2138.00		NIST
Ip	2145.00		NIST
Ip	2094.00		NIST
Ip	2139.00		NIST
Ip	2141.00		NIST
Ip	2100.00		NIST
Ip	2137.00		NIST
Ip	2131.00		NIST
Ip	2103.00		NIST
Ip	2141.00		NIST
Ip	2183.00		NIST
Ip	2100.00		NIST
Ip	2137.00		NIST
Ip	2131.00		NIST
Ip	2101.00		NIST
Ip	2101.00		NIST
Ip	2173.00		NIST
Ip	2130.00		NIST
Ip	Outlier 2090.00		NIST
Ip	2125.00		NIST
Ip	2155.00		NIST
Ip	2155.00		NIST
Ip	2138.00		NIST
Ip	2100.00		NIST
Ip	2183.00		NIST
Ip	2101.00		NIST
Ip	2155.00		NIST
Ip	2144.00		NIST
Ip	2149.00		NIST
Ip	2136.00		NIST
Ip	2158.00		NIST
Ip	2177.00		NIST
Ip	2132.00		NIST
Ip	2160.00		NIST
Ip	2162.00		NIST
Ip	2109.00		NIST
Ip	2129.00		NIST
Tboil	564.42	K	Relay (1.0) Calculated Property
Tfus	233.72	K	Relay (1.0) Calculated Property

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	75.00	kJ/mol	298.15	Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
Pvap	[3.50e-04; 0.07]	kPa	[298.40; 365.00]
Pvap	3.50e-04	kPa	298.40	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	5.60e-04	kPa	303.30	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	8.80e-04	kPa	308.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	1.46e-03	kPa	313.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	1.44e-03	kPa	313.40	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	2.14e-03	kPa	318.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	2.33e-03	kPa	318.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	3.39e-03	kPa	322.90	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	3.45e-03	kPa	323.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	5.32e-03	kPa	328.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	5.23e-03	kPa	328.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	7.65e-03	kPa	333.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	7.91e-03	kPa	333.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.01	kPa	338.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.01	kPa	338.70	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	343.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	343.90	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	348.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.03	kPa	349.40	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.03	kPa	353.30	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.04	kPa	354.80	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.05	kPa	360.30	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.07	kPa	365.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.51; 523.08]	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			-3.10350e+01
Coefficient B			1.04992e+00
Coefficient C			-6.45800e-04
Coefficient D			1.50000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.51	J/mol×K	273.00	Calculated Property
Cp,gas	266.22	J/mol×K	353.78	Calculated Property
Cp,gas	315.57	J/mol×K	434.56	Calculated Property
Cp,gas	359.05	J/mol×K	515.33	Calculated Property
Cp,gas	397.12	J/mol×K	596.11	Calculated Property
Cp,gas	430.27	J/mol×K	676.89	Calculated Property
Cp,gas	458.97	J/mol×K	757.67	Calculated Property
Cp,gas	483.69	J/mol×K	838.44	Calculated Property
Cp,gas	504.90	J/mol×K	919.22	Calculated Property
Cp,gas	523.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030147; 0.0004493]	Pa×s	[262.73; 472.69]	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			-1.00897e+01
Coefficient B			1.12592e+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.			262.73
Temperature range, max.			472.69
η	0.0030147	Pa×s	262.73	Calculated Property
η	0.0021255	Pa×s	286.06	Calculated Property
η	0.0015797	Pa×s	309.39	Calculated Property
η	0.0012239	Pa×s	332.72	Calculated Property
η	0.0009805	Pa×s	356.05	Calculated Property
η	0.0008072	Pa×s	379.38	Calculated Property
η	0.0006797	Pa×s	402.71	Calculated Property
η	0.0005832	Pa×s	426.03	Calculated Property
η	0.0005085	Pa×s	449.36	Calculated Property
η	0.0004493	Pa×s	472.69	Calculated Property

Similar Compounds

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

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
• Vapour pressures and enthalpies of vapourization of a series of the c-lactones
• Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.