Chemical Properties of Methyl n-hexadecyl ketone (CAS 7373-13-9)

InChI

InChI=1S/C18H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h3-17H2,1-2H3

InChI Key

PJLJQAWUAPNCJC-UHFFFAOYSA-N

Formula

C18H36O

SMILES

CCCCCCCCCCCCCCCCC(C)=O

Molecular Weight¹

268.48

CAS

7373-13-9

Other Names

• 2-Octadecanone

• 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).
• 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).
• P_vap : Vapor 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	0.8561		Relay (1.0) Calculated Property
ΔfG°	-28.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.97	kJ/mol	Joback Calculated Property
ΔvapH°	98.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-6.60		Relay (1.0) Calculated Property
logPoct/wat	6.447		Crippen Calculated Property
McVol	266.050	ml/mol	McGowan Calculated Property
Pc	1203.12	kPa	Joback Calculated Property
Inp	[333.26; 2004.00]
Inp	2004.00		NIST
Inp	1971.00		NIST
Inp	1992.00		NIST
Inp	1971.00		NIST
Inp	333.26		NIST
Inp	333.26		NIST
Inp	2004.00		NIST
Tboil	582.12	K	Relay (1.0) Calculated Property
Tc	770.27	K	Relay (1.0) Calculated Property
Tfus	300.40 ± 1.50	K	NIST
Vc	1.047	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.25; 936.99]	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			-6.11500e+00
Coefficient B			1.68584e+00
Coefficient C			-9.36700e-04
Coefficient D			1.93960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	388.25	J/mol×K	273.00	Calculated Property
Cp,gas	481.65	J/mol×K	353.78	Calculated Property
Cp,gas	565.51	J/mol×K	434.56	Calculated Property
Cp,gas	640.44	J/mol×K	515.33	Calculated Property
Cp,gas	707.06	J/mol×K	596.11	Calculated Property
Cp,gas	765.99	J/mol×K	676.89	Calculated Property
Cp,gas	817.83	J/mol×K	757.67	Calculated Property
Cp,gas	863.20	J/mol×K	838.44	Calculated Property
Cp,gas	902.72	J/mol×K	919.22	Calculated Property
Cp,gas	936.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075428; 0.0001997]	Pa×s	[300.40; 582.75]	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			-1.23822e+01
Coefficient B			2.25151e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			300.40
Temperature range, max.			582.75
η	0.0075428	Pa×s	300.40	Calculated Property
η	0.0037131	Pa×s	331.77	Calculated Property
η	0.0020659	Pa×s	363.14	Calculated Property
η	0.0012618	Pa×s	394.52	Calculated Property
η	0.0008287	Pa×s	425.89	Calculated Property
η	0.0005766	Pa×s	457.26	Calculated Property
η	0.0004203	Pa×s	488.63	Calculated Property
η	0.0003183	Pa×s	520.01	Calculated Property
η	0.0002488	Pa×s	551.38	Calculated Property
η	0.0001997	Pa×s	582.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[462.42; 645.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49849e+01
Coefficient B			-5.18463e+03
Coefficient C			-1.09660e+02
Temperature range, min.			462.42
Temperature range, max.			645.63
Pvap	1.33	kPa	462.42	Calculated Property
Pvap	2.97	kPa	482.78	Calculated Property
Pvap	6.10	kPa	503.13	Calculated Property
Pvap	11.66	kPa	523.49	Calculated Property
Pvap	20.99	kPa	543.85	Calculated Property
Pvap	35.83	kPa	564.20	Calculated Property
Pvap	58.42	kPa	584.56	Calculated Property
Pvap	91.50	kPa	604.92	Calculated Property
Pvap	138.33	kPa	625.27	Calculated Property
Pvap	202.67	kPa	645.63	Calculated Property

Similar Compounds

Find more compounds similar to Methyl n-hexadecyl ketone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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