Chemical Properties of 3-Hexadecanone (CAS 18787-64-9)

InChI

InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3

InChI Key

LTMXHUUHBSCKEK-UHFFFAOYSA-N

Formula

C16H32O

SMILES

CCCCCCCCCCCCCC(=O)CC

Molecular Weight¹

240.42

CAS

18787-64-9

Other Names

• Ethyl n-tridecyl ketone
• hexadecan-3-one

• 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).
• 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_boilr : Boiling point at reduced pressure (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°	-45.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-486.15	kJ/mol	Joback Calculated Property
ΔfusH°	38.80	kJ/mol	Joback Calculated Property
ΔvapH°	57.96	kJ/mol	Joback Calculated Property
log10WS	-5.80		Crippen Calculated Property
logPoct/wat	5.667		Crippen Calculated Property
McVol	237.870	ml/mol	McGowan Calculated Property
Pc	1380.93	kPa	Joback Calculated Property
Inp	[1777.00; 1803.00]
Inp	1778.00		NIST
Inp	1777.00		NIST
Inp	1803.00		NIST
Tboil	619.35	K	Joback Calculated Property
Tc	786.27	K	Joback Calculated Property
Tfus	320.01	K	Joback Calculated Property
Vc	0.938	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.00; 742.73]	J/mol×K	[619.35; 786.27]
Cp,gas	645.00	J/mol×K	619.35	Joback Calculated Property
Cp,gas	663.14	J/mol×K	647.17	Joback Calculated Property
Cp,gas	680.51	J/mol×K	674.99	Joback Calculated Property
Cp,gas	697.13	J/mol×K	702.81	Joback Calculated Property
Cp,gas	713.03	J/mol×K	730.63	Joback Calculated Property
Cp,gas	728.22	J/mol×K	758.45	Joback Calculated Property
Cp,gas	742.73	J/mol×K	786.27	Joback Calculated Property
η	[0.0001564; 0.0035270]	Pa×s	[320.01; 619.35]
η	0.0035270	Pa×s	320.01	Joback Calculated Property
η	0.0014783	Pa×s	369.90	Joback Calculated Property
η	0.0007619	Pa×s	419.79	Joback Calculated Property
η	0.0004520	Pa×s	469.68	Joback Calculated Property
η	0.0002965	Pa×s	519.57	Joback Calculated Property
η	0.0002094	Pa×s	569.46	Joback Calculated Property
η	0.0001564	Pa×s	619.35	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[413.20; 457.20]	K	[0.30; 2.30]
Tboilr	413.20	K	0.30	NIST
Tboilr	457.20	K	2.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[438.76; 616.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48723e+01
Coefficient B			-4.92228e+03
Coefficient C			-1.01264e+02
Temperature range, min.			438.76
Temperature range, max.			616.10
Pvap	1.33	kPa	438.76	Calculated Property
Pvap	2.98	kPa	458.46	Calculated Property
Pvap	6.13	kPa	478.17	Calculated Property
Pvap	11.72	kPa	497.87	Calculated Property
Pvap	21.09	kPa	517.58	Calculated Property
Pvap	35.99	kPa	537.28	Calculated Property
Pvap	58.63	kPa	556.99	Calculated Property
Pvap	91.74	kPa	576.69	Calculated Property
Pvap	138.51	kPa	596.40	Calculated Property
Pvap	202.64	kPa	616.10	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexadecanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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