Chemical Properties of 2H-Pyran-2-one, tetrahydro-6-nonyl- (CAS 2721-22-4)

InChI

InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3

InChI Key

SKQYTJLYRIFFCO-UHFFFAOYSA-N

Formula

C14H26O2

SMILES

CCCCCCCCCC1CCCC(=O)O1

Molecular Weight¹

226.35

CAS

2721-22-4

Other Names

• «delta»-Nonyl-«delta»-valeralactone
• «delta»-Tetradecalactone
• «delta»-tetradecaIactone
• tetrahydro-6-nonyl-2H-pyran-2-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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	0.6819		Relay (1.0) Calculated Property
ΔfG°	-194.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-596.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.42	kJ/mol	Joback Calculated Property
ΔvapH°	88.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
logPoct/wat	4.223		Crippen Calculated Property
McVol	204.700	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[1938.00; 1938.00]
Inp	1938.00		NIST
Inp	1938.00		NIST
I	[2675.00; 2701.00]
I	2701.00		NIST
I	2675.00		NIST
I	2675.00		NIST
I	2701.00		NIST
Tboil	614.16	K	Relay (1.0) Calculated Property
Tc	787.37	K	Relay (1.0) Calculated Property
Tfus	273.39	K	Relay (1.0) Calculated Property
Vc	0.778	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.70; 645.93]	J/mol×K	[589.15; 769.81]
Cp,gas	547.70	J/mol×K	589.15	Joback Calculated Property
Cp,gas	566.27	J/mol×K	619.26	Joback Calculated Property
Cp,gas	583.93	J/mol×K	649.37	Joback Calculated Property
Cp,gas	600.69	J/mol×K	679.48	Joback Calculated Property
Cp,gas	616.60	J/mol×K	709.59	Joback Calculated Property
Cp,gas	631.66	J/mol×K	739.70	Joback Calculated Property
Cp,gas	645.93	J/mol×K	769.81	Joback Calculated Property
η	[0.0002517; 0.0038459]	Pa×s	[304.29; 589.15]
η	0.0038459	Pa×s	304.29	Joback Calculated Property
η	0.0017966	Pa×s	351.77	Joback Calculated Property
η	0.0010059	Pa×s	399.24	Joback Calculated Property
η	0.0006370	Pa×s	446.72	Joback Calculated Property
η	0.0004405	Pa×s	494.20	Joback Calculated Property
η	0.0003249	Pa×s	541.67	Joback Calculated Property
η	0.0002517	Pa×s	589.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-nonyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.
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