Chemical Properties of 2H-Pyran-2-one, 5,6-dihydro-6-pentyl- (CAS 54814-64-1)

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3

InChI Key

NEDIAPMWNCQWNW-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CCCCCC1CC=CC(=O)O1

Molecular Weight¹

168.23

CAS

54814-64-1

Other Names

• 5-Hydroxy-2-decenoic acid «delta»-lactone
• 5-Hydroxy-2-decenoic acid, lactone
• C-10-Massoia lactone
• 5,6-Dihydro-6-pentyl-2H-pyran-2-one
• (.+/-.)-Massoilactone

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-418.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.28	kJ/mol	Joback Calculated Property
ΔvapH°	77.61	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.438		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Inp	[1477.00; 1520.00]
Inp	1477.00		NIST
Inp	1501.20		NIST
Inp	1499.00		NIST
Inp	1520.00		NIST
Inp	1477.00		NIST
Inp	1520.00		NIST
Inp	1501.20		NIST
I	[2207.00; 2246.00]
I	2246.00		NIST
I	2207.00		NIST
I	2207.00		NIST
I	2246.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[331.07; 411.27]	J/mol×K	[496.79; 687.02]
Cp,gas	331.07	J/mol×K	496.79	Joback Calculated Property
Cp,gas	346.32	J/mol×K	528.49	Joback Calculated Property
Cp,gas	360.78	J/mol×K	560.20	Joback Calculated Property
Cp,gas	374.48	J/mol×K	591.90	Joback Calculated Property
Cp,gas	387.45	J/mol×K	623.61	Joback Calculated Property
Cp,gas	399.70	J/mol×K	655.31	Joback Calculated Property
Cp,gas	411.27	J/mol×K	687.02	Joback Calculated Property
η	[0.0003336; 0.0032625]	Pa×s	[259.97; 496.79]
η	0.0032625	Pa×s	259.97	Joback Calculated Property
η	0.0017367	Pa×s	299.44	Joback Calculated Property
η	0.0010707	Pa×s	338.91	Joback Calculated Property
η	0.0007302	Pa×s	378.38	Joback Calculated Property
η	0.0005353	Pa×s	417.85	Joback Calculated Property
η	0.0004141	Pa×s	457.32	Joback Calculated Property
η	0.0003336	Pa×s	496.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, 5,6-dihydro-6-pentyl-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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