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_p : 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
Ip	[1755.00; 1817.00]
Ip	1767.00		NIST
Ip	1789.00		NIST
Ip	1796.00		NIST
Ip	1796.00		NIST
Ip	1817.00		NIST
Ip	1784.00		NIST
Ip	1777.00		NIST
Ip	1811.00		NIST
Ip	1755.00		NIST
Ip	1766.00		NIST
Ip	1797.00		NIST
Ip	1784.00		NIST
Ip	1785.00		NIST
Ip	1803.00		NIST
Ip	1764.00		NIST
Ip	1777.00		NIST
Ip	1803.00		NIST
Ip	1767.00		NIST
Ip	1811.00		NIST
Ip	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
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.87; 368.31]	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			-2.83080e+01
Coefficient B			7.64920e-01
Coefficient C			-4.82600e-04
Coefficient D			1.14300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.87	J/mol×K	273.00	Calculated Property
Cp,gas	186.96	J/mol×K	353.78	Calculated Property
Cp,gas	222.34	J/mol×K	434.56	Calculated Property
Cp,gas	253.36	J/mol×K	515.33	Calculated Property
Cp,gas	280.39	J/mol×K	596.11	Calculated Property
Cp,gas	303.79	J/mol×K	676.89	Calculated Property
Cp,gas	323.92	J/mol×K	757.67	Calculated Property
Cp,gas	341.14	J/mol×K	838.44	Calculated Property
Cp,gas	355.82	J/mol×K	919.22	Calculated Property
Cp,gas	368.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022604; 0.0004067]	Pa×s	[228.92; 428.33]	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			-9.77663e+00
Coefficient B			8.43440e+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.			228.92
Temperature range, max.			428.33
η	0.0022604	Pa×s	228.92	Calculated Property
η	0.0016330	Pa×s	251.08	Calculated Property
η	0.0012436	Pa×s	273.23	Calculated Property
η	0.0009865	Pa×s	295.39	Calculated Property
η	0.0008083	Pa×s	317.55	Calculated Property
η	0.0006798	Pa×s	339.70	Calculated Property
η	0.0005839	Pa×s	361.86	Calculated Property
η	0.0005104	Pa×s	384.02	Calculated Property
η	0.0004528	Pa×s	406.18	Calculated Property
η	0.0004067	Pa×s	428.33	Calculated Property

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

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