Chemical Properties of 6-Undecyltetrahydro-2H-pyran-2-one

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3

InChI Key

ZMJKQSSFLIFELJ-UHFFFAOYSA-N

Formula

C16H30O2

SMILES

CCCCCCCCCCCC1CCCC(=O)O1

Molecular Weight¹

254.41

Other Names

• Hexadecalactone
• 2H-Pyran-2-one, tetrahydro-6-undecyl-
• tetrahydro-6-undecyl-2H-pyran-2-one
• 6-Undecyltetrahydro-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.
• 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	0.7539		Relay (1.0) Calculated Property
ΔfG°	-177.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-638.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.60	kJ/mol	Joback Calculated Property
ΔvapH°	97.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
logPoct/wat	5.003		Crippen Calculated Property
McVol	232.880	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[2141.90; 2154.00]
Inp	2141.90		NIST
Inp	2141.90		NIST
Inp	2154.00		NIST
Inp	2154.00		NIST
Tboil	629.56	K	Relay (1.0) Calculated Property
Tc	807.56	K	Relay (1.0) Calculated Property
Tfus	288.38	K	Relay (1.0) Calculated Property
Vc	0.890	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	[656.61; 758.51]	J/mol×K	[634.91; 812.90]
Cp,gas	656.61	J/mol×K	634.91	Joback Calculated Property
Cp,gas	675.89	J/mol×K	664.57	Joback Calculated Property
Cp,gas	694.21	J/mol×K	694.24	Joback Calculated Property
Cp,gas	711.60	J/mol×K	723.90	Joback Calculated Property
Cp,gas	728.09	J/mol×K	753.57	Joback Calculated Property
Cp,gas	743.72	J/mol×K	783.23	Joback Calculated Property
Cp,gas	758.51	J/mol×K	812.90	Joback Calculated Property
η	[0.0002072; 0.0035013]	Pa×s	[326.83; 634.91]
η	0.0035013	Pa×s	326.83	Joback Calculated Property
η	0.0015873	Pa×s	378.18	Joback Calculated Property
η	0.0008695	Pa×s	429.52	Joback Calculated Property
η	0.0005416	Pa×s	480.87	Joback Calculated Property
η	0.0003696	Pa×s	532.22	Joback Calculated Property
η	0.0002698	Pa×s	583.56	Joback Calculated Property
η	0.0002072	Pa×s	634.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Undecyltetrahydro-2H-pyran-2-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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