Chemical Properties of Oxacyclohexadecan-2-one, 16-methyl- (CAS 4459-57-8)

InChI

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

InChI Key

GILZFLFJYUGJLX-UHFFFAOYSA-N

Formula

C16H30O2

SMILES

CC1CCCCCCCCCCCCCC(=O)O1

Molecular Weight¹

254.41

CAS

4459-57-8

Other Names

• 15-Hexadecanolide
• (+/-)-15-Hexadecanolide
• (+-)-15-hexadecanolide

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-685.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.60	kJ/mol	Joback Calculated Property
ΔvapH°	86.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	5.003		Crippen Calculated Property
McVol	232.880	ml/mol	McGowan Calculated Property
Inp	[1943.00; 1959.00]
Inp	1943.00		NIST
Inp	1959.00		NIST
I	[2260.00; 2304.00]
I	2304.00		NIST
I	2260.00		NIST
I	2260.00		NIST
I	2260.00		NIST
I	2260.00		NIST
Tboil	665.58	K	Relay (1.0) Calculated Property
Tfus	310.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[687.81; 824.34]	J/mol×K	[677.61; 916.35]
Cp,gas	687.81	J/mol×K	677.61	Joback Calculated Property
Cp,gas	716.19	J/mol×K	717.40	Joback Calculated Property
Cp,gas	742.37	J/mol×K	757.19	Joback Calculated Property
Cp,gas	766.32	J/mol×K	796.98	Joback Calculated Property
Cp,gas	787.99	J/mol×K	836.77	Joback Calculated Property
Cp,gas	807.34	J/mol×K	876.56	Joback Calculated Property
Cp,gas	824.34	J/mol×K	916.35	Joback Calculated Property
η	[0.0000100; 0.0266519]	Pa×s	[291.63; 677.61]
η	0.0266519	Pa×s	291.63	Joback Calculated Property
η	0.0021827	Pa×s	355.96	Joback Calculated Property
η	0.0003845	Pa×s	420.29	Joback Calculated Property
η	0.0001074	Pa×s	484.62	Joback Calculated Property
η	0.0000405	Pa×s	548.95	Joback Calculated Property
η	0.0000187	Pa×s	613.28	Joback Calculated Property
η	0.0000100	Pa×s	677.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxacyclohexadecan-2-one, 16-methyl-.

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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