Chemical Properties of 2-HEXADECANONE (CAS 18787-63-8)

InChI

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

InChI Key

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

Formula

C16H32O

SMILES

CCCCCCCCCCCCCCC(C)=O

Molecular Weight¹

240.43

CAS

18787-63-8

Other Names

• Hexadecan-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I_p : 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	0.7859		Relay (1.0) Calculated Property
ΔfG°	-45.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-509.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.80	kJ/mol	Joback Calculated Property
ΔvapH°	89.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) 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	[301.06; 1809.00]
Inp	1791.60		NIST
Inp	1780.60		NIST
Inp	1767.90		NIST
Inp	1805.00		NIST
Inp	1780.00		NIST
Inp	1782.00		NIST
Inp	1781.00		NIST
Inp	1800.00		NIST
Inp	1787.00		NIST
Inp	1770.00		NIST
Inp	1785.00		NIST
Inp	1778.00		NIST
Inp	1781.00		NIST
Inp	1791.00		NIST
Inp	1809.00		NIST
Inp	1805.00		NIST
Inp	1782.00		NIST
Inp	1770.00		NIST
Inp	1808.00		NIST
Inp	1807.00		NIST
Inp	1778.00		NIST
Inp	1783.00		NIST
Inp	1804.00		NIST
Inp	Outlier 301.06		NIST
Inp	1785.00		NIST
Inp	1781.00		NIST
Inp	Outlier 301.06		NIST
Ip	[2092.00; 2150.00]
Ip	2130.00		NIST
Ip	2112.00		NIST
Ip	2092.00		NIST
Ip	2150.00		NIST
Tboil	567.32	K	Relay (1.0) Calculated Property
Tc	752.08	K	Relay (1.0) Calculated Property
Tfus	318.28	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.83; 833.80]	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			-4.29700e+00
Coefficient B			1.49584e+00
Coefficient C			-8.27900e-04
Coefficient D			1.70160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.83	J/mol×K	273.00	Calculated Property
Cp,gas	428.81	J/mol×K	353.78	Calculated Property
Cp,gas	503.35	J/mol×K	434.56	Calculated Property
Cp,gas	569.98	J/mol×K	515.33	Calculated Property
Cp,gas	629.24	J/mol×K	596.11	Calculated Property
Cp,gas	681.67	J/mol×K	676.89	Calculated Property
Cp,gas	727.80	J/mol×K	757.67	Calculated Property
Cp,gas	768.17	J/mol×K	838.44	Calculated Property
Cp,gas	803.33	J/mol×K	919.22	Calculated Property
Cp,gas	833.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035270; 0.0002371]	Pa×s	[320.01; 550.57]	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			-1.20946e+01
Coefficient B			2.06319e+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.			320.01
Temperature range, max.			550.57
η	0.0035270	Pa×s	320.01	Calculated Property
η	0.0021871	Pa×s	345.63	Calculated Property
η	0.0014487	Pa×s	371.25	Calculated Property
η	0.0010120	Pa×s	396.86	Calculated Property
η	0.0007384	Pa×s	422.48	Calculated Property
η	0.0005585	Pa×s	448.10	Calculated Property
η	0.0004354	Pa×s	473.72	Calculated Property
η	0.0003482	Pa×s	499.33	Calculated Property
η	0.0002846	Pa×s	524.95	Calculated Property
η	0.0002371	Pa×s	550.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[441.62; 615.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51347e+01
Coefficient B			-5.03598e+03
Coefficient C			-1.02432e+02
Temperature range, min.			441.62
Temperature range, max.			615.09
Pvap	1.33	kPa	441.62	Calculated Property
Pvap	2.96	kPa	460.89	Calculated Property
Pvap	6.07	kPa	480.17	Calculated Property
Pvap	11.59	kPa	499.44	Calculated Property
Pvap	20.85	kPa	518.72	Calculated Property
Pvap	35.61	kPa	537.99	Calculated Property
Pvap	58.13	kPa	557.27	Calculated Property
Pvap	91.17	kPa	576.54	Calculated Property
Pvap	138.06	kPa	595.82	Calculated Property
Pvap	202.65	kPa	615.09	Calculated Property

Similar Compounds

Find more compounds similar to 2-HEXADECANONE.

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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