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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4326		Relay (1.0) Calculated Property
ΔfG°	-164.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	62.30 ± 0.30	kJ/mol	NIST
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	1.492		Crippen Calculated Property
McVol	106.070	ml/mol	McGowan Calculated Property
Pc	3526.27	kPa	Joback 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	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	1811.00		NIST
I	1785.00		NIST
I	1803.00		NIST
Tboil	515.26	K	Relay (1.0) Calculated Property
Tc	668.69	K	Relay (1.0) Calculated Property
Tfus	206.35	K	Relay (1.0) Calculated Property
Vc	0.394	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.28; 310.83]	J/mol×K	[469.61; 683.50]
Cp,gas	234.28	J/mol×K	469.61	Joback Calculated Property
Cp,gas	248.59	J/mol×K	505.26	Joback Calculated Property
Cp,gas	262.27	J/mol×K	540.91	Joback Calculated Property
Cp,gas	275.34	J/mol×K	576.56	Joback Calculated Property
Cp,gas	287.80	J/mol×K	612.21	Joback Calculated Property
Cp,gas	299.62	J/mol×K	647.86	Joback Calculated Property
Cp,gas	310.83	J/mol×K	683.50	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)
• 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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