Chemical Properties of 2H-Pyran-2-one, tetrahydro-6-propyl-

InChI

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

InChI Key

FYTRVXSHONWYNE-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CCCC1CCCC(=O)O1

Molecular Weight¹

142.20

Other Names

• 5-Hydroxyoctanoic acid lactone
• 5-Hydroxyoctanoic acid «delta»-lactone
• 5-Octanolide
• 5-octanolide («delta»-octalactone)
• D-octanolactone
• Octanoic acid, 5-hydroxy-, «delta»-lactone
• tetrahydro-6-propyl-2H-pyran-2-one
• «beta»-Octalactone
• «delta»-Octalactone
• «delta»-Octanolactone
• «delta»-Octanolide
• «delta»-Propylvalerolactone

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-468.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.80	kJ/mol	Joback Calculated Property
ΔvapH°	67.00 ± 0.20	kJ/mol	NIST
logPoct/wat	1.882		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Inp	[1241.00; 1306.00]
Inp	1288.00		NIST
Inp	1287.00		NIST
Inp	1306.00		NIST
Inp	1292.00		NIST
Inp	1288.00		NIST
Inp	1302.00		NIST
Inp	1298.00		NIST
Inp	1287.00		NIST
Inp	1283.00		NIST
Inp	1287.00		NIST
Inp	1290.00		NIST
Inp	1287.00		NIST
Inp	1306.00		NIST
Inp	1270.00		NIST
Inp	1283.00		NIST
Inp	1283.00		NIST
Inp	1250.00		NIST
Inp	1292.00		NIST
Inp	1270.00		NIST
Inp	1266.00		NIST
Inp	1295.00		NIST
Inp	1270.00		NIST
Inp	1268.00		NIST
Inp	1290.00		NIST
Inp	Outlier 1243.00		NIST
Inp	Outlier 1241.00		NIST
Inp	1252.00		NIST
Inp	1287.00		NIST
Inp	1297.00		NIST
Inp	1289.00		NIST
Inp	1288.00		NIST
Inp	1252.00		NIST
Inp	1250.00		NIST
Inp	1266.00		NIST
I	[1929.00; 2002.00]
I	Outlier 1929.00		NIST
I	1965.00		NIST
I	1974.00		NIST
I	1988.00		NIST
I	1980.00		NIST
I	1966.00		NIST
I	1973.00		NIST
I	1977.00		NIST
I	1977.00		NIST
I	1976.00		NIST
I	1988.00		NIST
I	1964.00		NIST
I	1964.00		NIST
I	1977.00		NIST
I	1970.00		NIST
I	1999.00		NIST
I	1947.00		NIST
I	1953.00		NIST
I	1989.00		NIST
I	1993.00		NIST
I	1976.00		NIST
I	1967.00		NIST
I	1988.00		NIST
I	1989.00		NIST
I	1985.00		NIST
I	1990.00		NIST
I	1947.00		NIST
I	1993.00		NIST
I	1984.00		NIST
I	1975.00		NIST
I	1980.00		NIST
I	1986.00		NIST
I	1985.00		NIST
I	2002.00		NIST
I	1964.00		NIST
I	1948.00		NIST
I	1949.00		NIST
I	1988.00		NIST
I	1988.00		NIST
I	1976.00		NIST
I	1941.00		NIST
I	Outlier 1929.00		NIST
I	1977.00		NIST
I	1966.00		NIST
I	1955.00		NIST
I	1956.00		NIST
I	1989.00		NIST
I	1988.00		NIST
I	1977.00		NIST
Tboil	535.19	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	[277.44; 364.77]	J/mol×K	[496.76; 715.62]
Cp,gas	277.44	J/mol×K	496.76	Joback Calculated Property
Cp,gas	293.89	J/mol×K	533.24	Joback Calculated Property
Cp,gas	309.58	J/mol×K	569.71	Joback Calculated Property
Cp,gas	324.53	J/mol×K	606.19	Joback Calculated Property
Cp,gas	338.71	J/mol×K	642.67	Joback Calculated Property
Cp,gas	352.13	J/mol×K	679.14	Joback Calculated Property
Cp,gas	364.77	J/mol×K	715.62	Joback Calculated Property
ΔvapH	66.60	kJ/mol	298.15	Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
Pvap	[8.80e-04; 0.13]	kPa	[288.30; 353.10]
Pvap	8.80e-04	kPa	288.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	1.37e-03	kPa	293.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	2.24e-03	kPa	298.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	3.44e-03	kPa	303.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	4.41e-03	kPa	306.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	5.24e-03	kPa	308.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	5.97e-03	kPa	309.80	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	7.69e-03	kPa	313.00	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	8.76e-03	kPa	314.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.03	kPa	328.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.04	kPa	333.40	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.04	kPa	335.70	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.05	kPa	338.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.07	kPa	343.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.10	kPa	348.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.13	kPa	353.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-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 vaporization of a series of d-lactones
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.