Chemical Properties of «delta»-Nonalactone (CAS 3301-94-8)

InChI

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

InChI Key

PXRBWNLUQYZAAX-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CCCCC1CCCC(=O)O1

Molecular Weight¹

156.22

CAS

3301-94-8

Other Names

• .delta.-nonanolactone
• 2H-Pyran-2-one, 6-butyltetrahydro-
• 2H-Pyran-2-one, tetrahydro-6-butyl
• 5-Nonanolide
• 6-butyltetrahydro-2H-pyran-2-one
• Nonan-1,5-olide
• «delta»-Butylvalerolactone
• «delta»-Nonanolide
• «delta»-nonanolactone

• 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	-492.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.39	kJ/mol	Joback Calculated Property
ΔvapH°	70.70 ± 0.40	kJ/mol	NIST
logPoct/wat	2.272		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Inp	[1356.00; 1404.00]
Inp	1404.00		NIST
Inp	1356.00		NIST
Inp	1356.00		NIST
I	[2023.00; 2038.00]
I	2023.00		NIST
I	2038.00		NIST
Tboil	551.80	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	[323.28; 415.40]	J/mol×K	[519.64; 734.94]
Cp,gas	323.28	J/mol×K	519.64	Joback Calculated Property
Cp,gas	340.68	J/mol×K	555.52	Joback Calculated Property
Cp,gas	357.27	J/mol×K	591.41	Joback Calculated Property
Cp,gas	373.04	J/mol×K	627.29	Joback Calculated Property
Cp,gas	387.99	J/mol×K	663.18	Joback Calculated Property
Cp,gas	402.11	J/mol×K	699.06	Joback Calculated Property
Cp,gas	415.40	J/mol×K	734.94	Joback Calculated Property
ΔvapH	71.10	kJ/mol	298.15	Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
Pvap	[5.40e-04; 0.05]	kPa	[293.20; 348.20]
Pvap	5.40e-04	kPa	293.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	8.60e-04	kPa	298.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	1.41e-03	kPa	303.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	2.14e-03	kPa	308.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	3.42e-03	kPa	313.30	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	5.09e-03	kPa	318.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	7.97e-03	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.01	kPa	328.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	333.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.02	kPa	338.10	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.03	kPa	343.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones
Pvap	0.05	kPa	348.20	Vapour pressures and enthalpies of vaporization of a series of d-lactones

Similar Compounds

Find more compounds similar to «delta»-Nonalactone.

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.