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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[283.98; 852.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.28200e+01
Coefficient B			1.51432e+00
Coefficient C			-4.61800e-04
Coefficient D			-1.07500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.98	J/mol×K	273.00	Calculated Property
Cp,gas	380.35	J/mol×K	353.78	Calculated Property
Cp,gas	469.21	J/mol×K	434.56	Calculated Property
Cp,gas	550.21	J/mol×K	515.33	Calculated Property
Cp,gas	623.01	J/mol×K	596.11	Calculated Property
Cp,gas	687.28	J/mol×K	676.89	Calculated Property
Cp,gas	742.67	J/mol×K	757.67	Calculated Property
Cp,gas	788.85	J/mol×K	838.44	Calculated Property
Cp,gas	825.47	J/mol×K	919.22	Calculated Property
Cp,gas	852.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0266519; 0.0000140]	Pa×s	[291.63; 641.44]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.74710e+01
Coefficient B			4.03795e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.63
Temperature range, max.			641.44
η	0.0266519	Pa×s	291.63	Calculated Property
η	0.0052304	Pa×s	330.50	Calculated Property
η	0.0014460	Pa×s	369.37	Calculated Property
η	0.0005107	Pa×s	408.23	Calculated Property
η	0.0002161	Pa×s	447.10	Calculated Property
η	0.0001050	Pa×s	485.97	Calculated Property
η	0.0000567	Pa×s	524.84	Calculated Property
η	0.0000334	Pa×s	563.71	Calculated Property
η	0.0000210	Pa×s	602.58	Calculated Property
η	0.0000140	Pa×s	641.44	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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