Chemical Properties of 2(3H)-Furanone, dihydro-5-propyl- (CAS 105-21-5)

InChI

InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3

InChI Key

VLSVVMPLPMNWBH-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

CCCC1CCC(=O)O1

Molecular Weight¹

128.17

CAS

105-21-5

Other Names

• 1,4-Heptanolide
• 4-Heptanolide
• 4-Hydroxyheptanoic acid lactone
• 4-Hydroxyheptanoic acid, «gamma»-lactone
• 5-Propyldihydro-2(3H)-furanone
• Heptan-4-olide
• Heptanoic acid, 4-hydroxy-, «gamma»-lactone
• Heptanolide-4,1
• NSC 46097
• dihydro-5-propyl-2(3H)-furanone
• «gamma»-Heptalactone
• «gamma»-Heptanolactone
• «gamma»-Heptanolide
• «gamma»-Propiobutyrolactone
• «gamma»-Propyl-«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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-432.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.39	kJ/mol	Joback Calculated Property
ΔvapH°	62.30 ± 0.30	kJ/mol	NIST
logPoct/wat	1.492		Crippen Calculated Property
McVol	106.070	ml/mol	McGowan Calculated Property
Inp	[1101.00; 1172.00]
Inp	1103.00		NIST
Inp	1127.00		NIST
Inp	1128.00		NIST
Inp	1172.00		NIST
Inp	1113.00		NIST
Inp	1155.00		NIST
Inp	1157.00		NIST
Inp	1159.00		NIST
Inp	1103.00		NIST
Inp	1163.00		NIST
Inp	1163.00		NIST
Inp	1101.00		NIST
Inp	1172.00		NIST
Inp	1103.00		NIST
I	[1755.00; 1817.00]
I	1767.00		NIST
I	1789.00		NIST
I	1796.00		NIST
I	1796.00		NIST
I	1817.00		NIST
I	1784.00		NIST
I	1777.00		NIST
I	1811.00		NIST
I	1755.00		NIST
I	1766.00		NIST
I	1797.00		NIST
I	1784.00		NIST
I	1785.00		NIST
I	1803.00		NIST
I	1764.00		NIST
I	1777.00		NIST
I	1803.00		NIST
I	1767.00		NIST
I	1811.00		NIST
I	1785.00		NIST
Tboil	515.26	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	[218.27; 285.24]	J/mol×K	[424.72; 611.90]
Cp,gas	218.27	J/mol×K	424.72	Joback Calculated Property
Cp,gas	230.95	J/mol×K	455.92	Joback Calculated Property
Cp,gas	243.00	J/mol×K	487.11	Joback Calculated Property
Cp,gas	254.43	J/mol×K	518.31	Joback Calculated Property
Cp,gas	265.26	J/mol×K	549.51	Joback Calculated Property
Cp,gas	275.53	J/mol×K	580.71	Joback Calculated Property
Cp,gas	285.24	J/mol×K	611.90	Joback Calculated Property
η	[0.0004135; 0.0022604]	Pa×s	[228.92; 424.72]
η	0.0022604	Pa×s	228.92	Joback Calculated Property
η	0.0014274	Pa×s	261.55	Joback Calculated Property
η	0.0009981	Pa×s	294.19	Joback Calculated Property
η	0.0007497	Pa×s	326.82	Joback Calculated Property
η	0.0005931	Pa×s	359.45	Joback Calculated Property
η	0.0004879	Pa×s	392.09	Joback Calculated Property
η	0.0004135	Pa×s	424.72	Joback Calculated Property
Pvap	[7.29e-03; 0.57]	kPa	[298.10; 363.20]
Pvap	7.29e-03	kPa	298.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.01	kPa	302.80	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	308.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.02	kPa	313.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.03	kPa	318.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.05	kPa	323.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.07	kPa	328.10	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.09	kPa	333.00	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.13	kPa	338.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.18	kPa	343.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.24	kPa	348.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.32	kPa	353.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.44	kPa	358.40	Vapour pressures and enthalpies of vapourization of a series of the c-lactones
Pvap	0.57	kPa	363.20	Vapour pressures and enthalpies of vapourization of a series of the c-lactones

Similar Compounds

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

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
• 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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