Chemical Properties of 6-Undecyl-5,6-dihydro-2H-pyran-2-one (CAS 81017-06-3)

InChI

InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,14-15H,2-10,12-13H2,1H3

InChI Key

LIIXNZRSHIMJDW-UHFFFAOYSA-N

Formula

C16H28O2

SMILES

CCCCCCCCCCCC1CC=CC(=O)O1

Molecular Weight¹

252.39

CAS

81017-06-3

• 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).
• 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).
• I_np : Non-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
ΔfG°	-70.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-531.17	kJ/mol	Joback Calculated Property
ΔfusH°	37.74	kJ/mol	Joback Calculated Property
ΔvapH°	60.69	kJ/mol	Joback Calculated Property
log10WS	-5.24		Crippen Calculated Property
logPoct/wat	4.779		Crippen Calculated Property
McVol	228.580	ml/mol	McGowan Calculated Property
Pc	1616.77	kPa	Joback Calculated Property
Inp	[2122.90; 2122.90]
Inp	2122.90		NIST
Inp	2122.90		NIST
Tboil	678.96	K	Joback Calculated Property
Tc	875.22	K	Joback Calculated Property
Tfus	373.01	K	Joback Calculated Property
Vc	0.878	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[666.91; 770.42]	J/mol×K	[678.96; 875.22]
Cp,gas	666.91	J/mol×K	678.96	Joback Calculated Property
Cp,gas	686.82	J/mol×K	711.67	Joback Calculated Property
Cp,gas	705.64	J/mol×K	744.38	Joback Calculated Property
Cp,gas	723.39	J/mol×K	777.09	Joback Calculated Property
Cp,gas	740.10	J/mol×K	809.80	Joback Calculated Property
Cp,gas	755.77	J/mol×K	842.51	Joback Calculated Property
Cp,gas	770.42	J/mol×K	875.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Undecyl-5,6-dihydro-2H-pyran-2-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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