Chemical Properties of 2(3H)-Furanone, dihydro-5-pentyl- (CAS 104-61-0)

InChI

InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3

InChI Key

OALYTRUKMRCXNH-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCCCCC1CCC(=O)O1

Molecular Weight¹

156.22

CAS

104-61-0

Other Names

• (.+/-.)-«gamma»-Nonalactone
• (3H)-Dihydro-5-pentyl-2-furanone
• 1,4-Nonalolide
• 4-Hydroxynonanoic acid lactone
• 4-Hydroxynonanoic acid, «gamma»-lactone
• 4-Nonanolide
• 4-Pentylbutanolide
• 5-Pentyl-«gamma»-lactone
• 5-Pentyldihydrofuran-2(3H)-one
• 5-pentyldihydro-2(3H)-furanone
• 5-pentyldihydrofuran-2( 3H)-one («gamma»-nonalactone)
• Aldehyde C-18
• Cocos aldehyde
• Dihydro-5-pentyl-2(3H)-furanon
• Nonan-1,4-olide
• Nonanoic acid, 4-hydroxy-, «gamma»-lactone
• Prunolide
• dihydro-5-pentyl-2(3H)-furanone
• nonan-4-olide
• «gamma»-Amyl-«gamma»-butyrolactone
• «gamma»-Amylbutyrolactone
• «gamma»-Nonalacton
• «gamma»-Nonalactone
• «gamma»-Nonanoic lactone
• «gamma»-Nonanolactone
• «gamma»-Nonanolide
• «gamma»-n-Amylbutyrolactone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-479.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.49	kJ/mol	Joback Calculated Property
ΔvapH°	70.30 ± 0.20	kJ/mol	NIST
logPoct/wat	2.272		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Inp	[1312.00; 1388.00]
Inp	1320.30		NIST
Inp	1312.00		NIST
Inp	1315.00		NIST
Inp	1328.00		NIST
Inp	1331.00		NIST
Inp	1330.00		NIST
Inp	1333.00		NIST
Inp	1336.00		NIST
Inp	1337.00		NIST
Inp	1362.00		NIST
Inp	1363.00		NIST
Inp	1350.00		NIST
Inp	1361.00		NIST
Inp	1370.00		NIST
Inp	1358.00		NIST
Inp	1368.00		NIST
Inp	1350.00		NIST
Inp	1380.00		NIST
Inp	1370.00		NIST
Inp	1360.00		NIST
Inp	1360.00		NIST
Inp	1344.00		NIST
Inp	1344.00		NIST
Inp	1366.00		NIST
Inp	1387.00		NIST
Inp	1325.00		NIST
Inp	1360.00		NIST
Inp	1320.00		NIST
Inp	1359.00		NIST
Inp	1325.00		NIST
Inp	1373.00		NIST
Inp	1360.00		NIST
Inp	1330.00		NIST
Inp	1370.00		NIST
Inp	1365.00		NIST
Inp	1363.00		NIST
Inp	1362.00		NIST
Inp	1318.00		NIST
Inp	1362.00		NIST
Inp	1362.00		NIST
Inp	1360.00		NIST
Inp	1363.00		NIST
Inp	1354.00		NIST
Inp	1334.00		NIST
Inp	1363.00		NIST
Inp	1365.00		NIST
Inp	1367.00		NIST
Inp	1377.00		NIST
Inp	1363.00		NIST
Inp	1350.00		NIST
Inp	1355.00		NIST
Inp	1328.00		NIST
Inp	1371.10		NIST
Inp	1359.00		NIST
Inp	1341.00		NIST
Inp	1358.00		NIST
Inp	1360.00		NIST
Inp	1360.00		NIST
Inp	1365.00		NIST
Inp	1368.00		NIST
Inp	1354.00		NIST
Inp	1324.00		NIST
Inp	1359.00		NIST
Inp	1372.00		NIST
Inp	1370.00		NIST
Inp	1372.00		NIST
Inp	1328.00		NIST
Inp	1372.00		NIST
Inp	1315.00		NIST
Inp	1315.00		NIST
Inp	1324.00		NIST
Inp	1324.00		NIST
Inp	1362.00		NIST
Inp	1358.00		NIST
Inp	1367.00		NIST
Inp	1361.00		NIST
Inp	1372.00		NIST
Inp	1378.00		NIST
Inp	1378.00		NIST
Inp	1322.00		NIST
Inp	1322.00		NIST
Inp	1363.00		NIST
Inp	1374.00		NIST
Inp	1366.00		NIST
Inp	1365.00		NIST
Inp	1327.00		NIST
Inp	1318.00		NIST
Inp	1379.00		NIST
Inp	1371.00		NIST
Inp	1364.00		NIST
Inp	1363.00		NIST
Inp	1335.00		NIST
Inp	1356.00		NIST
Inp	1363.00		NIST
Inp	1317.00		NIST
Inp	1361.00		NIST
Inp	1372.00		NIST
Inp	1322.00		NIST
Inp	1322.00		NIST
Inp	1366.00		NIST
Inp	1366.00		NIST
Inp	1379.00		NIST
Inp	1379.00		NIST
Inp	1318.00		NIST
Inp	1323.00		NIST
Inp	1373.40		NIST
Inp	1325.00		NIST
Inp	1335.00		NIST
Inp	1325.00		NIST
Inp	1366.00		NIST
Inp	1352.00		NIST
Inp	1320.00		NIST
Inp	1370.00		NIST
Inp	1388.00		NIST
Inp	1312.00		NIST
Inp	1333.00		NIST
Inp	1320.30		NIST
Inp	1363.00		NIST
Inp	1350.00		NIST
Inp	1341.00		NIST
Inp	1368.00		NIST
Inp	1370.00		NIST
Inp	1315.00		NIST
I	[1981.00; 2068.00]
I	2050.00		NIST
I	2052.00		NIST
I	1993.00		NIST
I	2028.00		NIST
I	2044.00		NIST
I	2012.00		NIST
I	2023.00		NIST
I	2035.00		NIST
I	2005.00		NIST
I	2012.00		NIST
I	2018.00		NIST
I	2011.00		NIST
I	2064.00		NIST
I	2055.00		NIST
I	2019.00		NIST
I	2020.00		NIST
I	2020.00		NIST
I	1998.00		NIST
I	2020.00		NIST
I	2000.00		NIST
I	2003.00		NIST
I	2019.00		NIST
I	2038.00		NIST
I	2036.00		NIST
I	2037.00		NIST
I	2010.00		NIST
I	2039.00		NIST
I	2040.00		NIST
I	2024.00		NIST
I	2053.00		NIST
I	2015.00		NIST
I	1993.00		NIST
I	2033.00		NIST
I	2003.00		NIST
I	2019.00		NIST
I	2018.00		NIST
I	2028.00		NIST
I	2051.00		NIST
I	2057.00		NIST
I	2018.00		NIST
I	2003.00		NIST
I	2018.00		NIST
I	2018.00		NIST
I	2068.00		NIST
I	1995.00		NIST
I	2005.00		NIST
I	2063.00		NIST
I	2056.00		NIST
I	2063.00		NIST
I	2046.00		NIST
I	2018.00		NIST
I	2020.00		NIST
I	2036.00		NIST
I	2038.00		NIST
I	2015.00		NIST
I	2024.00		NIST
I	2018.00		NIST
I	2047.00		NIST
I	2045.00		NIST
I	2038.00		NIST
I	2038.00		NIST
I	2038.00		NIST
I	2008.00		NIST
I	2008.00		NIST
I	2059.00		NIST
I	1989.00		NIST
I	2063.00		NIST
I	Outlier 1981.00		NIST
I	1990.00		NIST
I	1989.00		NIST
I	2024.00		NIST
I	2011.00		NIST
I	2012.00		NIST
I	2007.00		NIST
I	2007.00		NIST
I	2056.00		NIST
I	2055.00		NIST
I	2025.00		NIST
I	2032.00		NIST
I	2032.00		NIST
I	2068.00		NIST
I	2002.00		NIST
I	2005.00		NIST
I	2009.00		NIST
I	2003.00		NIST
I	2035.00		NIST
I	2068.00		NIST
I	2032.00		NIST
I	2032.00		NIST
I	2019.00		NIST
I	2011.00		NIST
I	2051.00		NIST
I	2001.00		NIST
I	2050.00		NIST
I	2002.00		NIST
I	2018.00		NIST
I	2038.00		NIST
I	2038.00		NIST
I	1991.00		NIST
I	2042.00		NIST
I	2048.00		NIST
I	2057.00		NIST
I	2068.00		NIST
I	2063.00		NIST
I	2038.00		NIST
I	2045.00		NIST
I	2008.00		NIST
I	1990.00		NIST
I	2007.00		NIST
I	2032.00		NIST
I	2009.00		NIST
I	2050.00		NIST
I	1991.00		NIST
Tboil	549.41	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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.99; 410.16]	J/mol×K	[515.37; 722.96]
Cp,gas	322.99	J/mol×K	515.37	Joback Calculated Property
Cp,gas	339.38	J/mol×K	549.97	Joback Calculated Property
Cp,gas	355.02	J/mol×K	584.57	Joback Calculated Property
Cp,gas	369.92	J/mol×K	619.16	Joback Calculated Property
Cp,gas	384.07	J/mol×K	653.76	Joback Calculated Property
Cp,gas	397.48	J/mol×K	688.36	Joback Calculated Property
Cp,gas	410.16	J/mol×K	722.96	Joback Calculated Property
ΔvapH	70.50	kJ/mol	298.15	Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
Pvap	[8.50e-04; 0.14]	kPa	[296.20; 363.40]
Pvap	8.50e-04	kPa	296.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	1.23e-03	kPa	300.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	2.11e-03	kPa	306.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	3.91e-03	kPa	313.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	5.74e-03	kPa	318.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	8.80e-03	kPa	323.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.01	kPa	328.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	333.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.03	kPa	338.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.04	kPa	342.80	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.05	kPa	348.40	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.07	kPa	353.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.10	kPa	358.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.14	kPa	363.40	Vapour pressures and enthalpies of vapourization of a series of the c-lactones

Pressure Dependent Properties

Similar Compounds

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

Mixtures

• 2(3H)-Furanone, dihydro-5-pentyl- + Water

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
• Limiting Separation Factors and Limiting Activity Coefficients for 2-Furfural, gamma-Nonalactone, Benzaldehyde, and Linalool in Water at 100 deg C
• Solubilities of Hexanal, Benzaldehyde, 2-Furfural, 2-Phenylethanol, Phenylethanal, and c-Nonalactone in Water at Temperatures between (50 and 100) deg C
• 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.