Chemical Properties of 2(3H)-Furanone, 5-butyldihydro- (CAS 104-50-7)

InChI

InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3

InChI Key

IPBFYZQJXZJBFQ-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CCCCC1CCC(=O)O1

Molecular Weight¹

142.20

CAS

104-50-7

Other Names

• .gamma.-butylbutyrolactone
• .gamma.-octalactone
• .gamma.-octanolactone
• 2(3H)-Furanone, dihydro-5-butyl-
• 4-Butyl-«gamma»-butyrolactone
• 4-Hydroxyoctanoic acid lactone
• 4-Hydroxyoctanoic acid, «gamma»-lactone
• 4-Octanolide
• 5-Butyldihydrofuran-2(3H)-one
• 5-Butyltetrahydro-2-furanone
• 5-butyldihydro-2(3H)-furanone
• NSC 24270
• Octan-4-olide
• Octanoic acid, 4-hydroxy-, lactone
• Octanoic acid, 4-hydroxy-, «gamma»-lactone
• Octanoic acid, «gamma» lactone
• Octanolide-1,4
• «gamma» -0ctalactone
• «gamma»-Butyl-«gamma»-butyrolactone
• «gamma»-Butylbutyrolactone
• «gamma»-Octalactone
• «gamma»-Octanolactone
• «gamma»-n-Butyl-«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_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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-458.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.98	kJ/mol	Joback Calculated Property
ΔvapH°	63.57	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.882		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Inp	[1208.00; 1277.00]
Inp	1210.00		NIST
Inp	1211.00		NIST
Inp	1208.00		NIST
Inp	1210.00		NIST
Inp	1210.00		NIST
Inp	1216.00		NIST
Inp	1218.00		NIST
Inp	1229.00		NIST
Inp	1230.00		NIST
Inp	1236.00		NIST
Inp	1236.00		NIST
Inp	1262.00		NIST
Inp	1276.00		NIST
Inp	1260.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1220.00		NIST
Inp	1255.00		NIST
Inp	1221.00		NIST
Inp	1209.00		NIST
Inp	1223.80		NIST
Inp	1225.00		NIST
Inp	1264.00		NIST
Inp	1257.00		NIST
Inp	1256.00		NIST
Inp	1259.00		NIST
Inp	1261.00		NIST
Inp	1259.00		NIST
Inp	1261.00		NIST
Inp	1208.00		NIST
Inp	1260.00		NIST
Inp	1260.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Inp	1266.00		NIST
Inp	1216.00		NIST
Inp	1210.00		NIST
Inp	1255.00		NIST
Inp	1213.00		NIST
Inp	1215.00		NIST
Inp	1218.00		NIST
Inp	1218.00		NIST
Inp	1210.00		NIST
Inp	1243.00		NIST
Inp	1230.00		NIST
Inp	1214.00		NIST
Inp	1224.00		NIST
Inp	1262.00		NIST
Inp	1269.00		NIST
Inp	1208.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1250.00		NIST
Inp	1266.00		NIST
Inp	1268.00		NIST
Inp	1259.00		NIST
Inp	1261.00		NIST
Inp	1277.00		NIST
Inp	1277.00		NIST
Inp	1225.00		NIST
Inp	1225.00		NIST
Inp	1215.00		NIST
Inp	1261.00		NIST
Inp	1230.00		NIST
Inp	1209.00		NIST
Inp	1210.00		NIST
Inp	1259.00		NIST
Inp	1215.00		NIST
Inp	1255.00		NIST
Inp	1210.00		NIST
Inp	1216.00		NIST
Inp	1236.00		NIST
I	[1866.00; 1950.00]
I	1880.00		NIST
I	1946.00		NIST
I	1950.00		NIST
I	1881.00		NIST
I	1916.00		NIST
I	1910.00		NIST
I	1917.00		NIST
I	1906.00		NIST
I	1885.00		NIST
I	1912.00		NIST
I	1912.00		NIST
I	1936.00		NIST
I	1889.00		NIST
I	1946.00		NIST
I	1866.00		NIST
I	1934.00		NIST
I	1898.00		NIST
I	1907.70		NIST
I	1910.50		NIST
I	1898.00		NIST
I	1901.00		NIST
I	1883.00		NIST
I	1878.00		NIST
I	1878.00		NIST
I	1911.00		NIST
I	1911.00		NIST
I	1915.00		NIST
I	1939.00		NIST
I	1916.00		NIST
I	1878.00		NIST
I	1937.00		NIST
I	1894.00		NIST
I	1886.00		NIST
I	1881.00		NIST
I	1923.00		NIST
I	1924.00		NIST
I	1881.00		NIST
I	1919.00		NIST
I	1889.00		NIST
I	1924.00		NIST
I	1933.00		NIST
I	1916.00		NIST
I	1916.00		NIST
I	1939.00		NIST
I	1910.00		NIST
I	1867.00		NIST
I	1911.00		NIST
I	1897.00		NIST
I	1898.00		NIST
I	1915.00		NIST
I	1937.00		NIST
I	1910.00		NIST
I	1886.00		NIST
I	1895.00		NIST
I	1883.00		NIST
I	1923.00		NIST
I	1940.00		NIST
I	1883.00		NIST
I	1888.00		NIST
I	1866.00		NIST
I	1881.00		NIST
I	1943.00		NIST
I	1878.00		NIST
I	1939.00		NIST
I	1916.00		NIST
I	1881.00		NIST
I	1889.00		NIST
I	1898.00		NIST
I	1915.00		NIST
I	1883.00		NIST
I	1866.00		NIST
Tboil	532.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.09; 419.90]	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			-2.92170e+01
Coefficient B			8.59920e-01
Coefficient C			-5.37000e-04
Coefficient D			1.26200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.09	J/mol×K	273.00	Calculated Property
Cp,gas	213.38	J/mol×K	353.78	Calculated Property
Cp,gas	253.42	J/mol×K	434.56	Calculated Property
Cp,gas	288.59	J/mol×K	515.33	Calculated Property
Cp,gas	319.30	J/mol×K	596.11	Calculated Property
Cp,gas	345.95	J/mol×K	676.89	Calculated Property
Cp,gas	368.94	J/mol×K	757.67	Calculated Property
Cp,gas	388.66	J/mol×K	838.44	Calculated Property
Cp,gas	405.51	J/mol×K	919.22	Calculated Property
Cp,gas	419.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025588; 0.0004281]	Pa×s	[240.19; 443.18]	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			-9.87178e+00
Coefficient B			9.37600e+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.			240.19
Temperature range, max.			443.18
η	0.0025588	Pa×s	240.19	Calculated Property
η	0.0018303	Pa×s	262.74	Calculated Property
η	0.0013804	Pa×s	285.30	Calculated Property
η	0.0010850	Pa×s	307.85	Calculated Property
η	0.0008813	Pa×s	330.41	Calculated Property
η	0.0007352	Pa×s	352.96	Calculated Property
η	0.0006268	Pa×s	375.52	Calculated Property
η	0.0005441	Pa×s	398.07	Calculated Property
η	0.0004795	Pa×s	420.63	Calculated Property
η	0.0004281	Pa×s	443.18	Calculated Property

Similar Compounds

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

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
• 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.
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