Chemical Properties of 1-Hexadecanol, acetate (CAS 629-70-9)

InChI

InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3

InChI Key

LSTDYDRCKUBPDI-UHFFFAOYSA-N

Formula

C18H36O2

SMILES

CCCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

284.48

CAS

629-70-9

Other Names

• 1-Acetoxyhexadecane
• 1-Hexadecanol, 1-acetate
• Acelan A
• Acetic acid, hexadecyl ester
• Acrylated lanolin alcohol
• Cetyl acetate
• ENT 1025
• Hexadecanyl acetate
• Hexadecyl acetate
• NSC 8492
• Palmityl acetate
• n-Hexadecyl acetate
• n-Hexadecyl ethanoate

• 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 : 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	0.8952		Relay (1.0) Calculated Property
ΔfG°	-133.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.16	kJ/mol	Joback Calculated Property
ΔvapH°	102.30	kJ/mol	NIST
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-6.40		Relay (1.0) Calculated Property
logPoct/wat	6.031		Crippen Calculated Property
McVol	271.920	ml/mol	McGowan Calculated Property
Pc	1189.06	kPa	Joback Calculated Property
Inp	[1976.00; 2013.00]
Inp	1996.00		NIST
Inp	1994.00		NIST
Inp	Outlier 1976.00		NIST
Inp	1991.10		NIST
Inp	Outlier 1984.00		NIST
Inp	2009.00		NIST
Inp	2010.00		NIST
Inp	2010.00		NIST
Inp	2010.00		NIST
Inp	2010.00		NIST
Inp	2009.00		NIST
Inp	2009.00		NIST
Inp	2013.00		NIST
Inp	2008.00		NIST
Inp	2006.90		NIST
Inp	2009.00		NIST
Inp	1995.00		NIST
Inp	1997.00		NIST
Inp	2006.00		NIST
Inp	2011.00		NIST
Inp	2004.00		NIST
Inp	2005.00		NIST
Inp	1990.00		NIST
Inp	2003.00		NIST
Inp	2009.00		NIST
Inp	2009.00		NIST
Inp	2009.00		NIST
Inp	2010.00		NIST
Inp	2013.00		NIST
Inp	2008.00		NIST
Inp	2009.00		NIST
Inp	2003.00		NIST
Inp	2013.00		NIST
Inp	1996.00		NIST
I	[2294.00; 2312.00]
I	2309.00		NIST
I	2312.00		NIST
I	2312.00		NIST
I	2294.00		NIST
I	2309.00		NIST
Tboil	580.25	K	Relay (1.0) Calculated Property
Tc	755.16	K	Relay (1.0) Calculated Property
Tfus	[291.70; 295.40]	K
Tfus	292.35 ± 2.00	K	NIST
Tfus	295.40 ± 1.50	K	NIST
Tfus	291.70 ± 4.00	K	NIST
Vc	1.073	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[789.92; 890.54]	J/mol×K	[687.53; 855.83]
Cp,gas	789.92	J/mol×K	687.53	Joback Calculated Property
Cp,gas	808.70	J/mol×K	715.58	Joback Calculated Property
Cp,gas	826.65	J/mol×K	743.63	Joback Calculated Property
Cp,gas	843.80	J/mol×K	771.68	Joback Calculated Property
Cp,gas	860.14	J/mol×K	799.73	Joback Calculated Property
Cp,gas	875.72	J/mol×K	827.78	Joback Calculated Property
Cp,gas	890.54	J/mol×K	855.83	Joback Calculated Property
η	[0.0000953; 0.0020226]	Pa×s	[364.78; 687.53]
η	0.0020226	Pa×s	364.78	Joback Calculated Property
η	0.0008765	Pa×s	418.57	Joback Calculated Property
η	0.0004595	Pa×s	472.36	Joback Calculated Property
η	0.0002749	Pa×s	526.15	Joback Calculated Property
η	0.0001809	Pa×s	579.95	Joback Calculated Property
η	0.0001278	Pa×s	633.74	Joback Calculated Property
η	0.0000953	Pa×s	687.53	Joback Calculated Property
ΔvapH	70.30	kJ/mol	450.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[507.32; 619.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.24900e+01
Coefficient B			-8.50187e+03
Coefficient C			-1.24394e+02
Temperature range, min.			507.32
Temperature range, max.			619.31
Pvap	1.33	kPa	507.32	Calculated Property
Pvap	2.68	kPa	519.76	Calculated Property
Pvap	5.17	kPa	532.21	Calculated Property
Pvap	9.58	kPa	544.65	Calculated Property
Pvap	17.14	kPa	557.09	Calculated Property
Pvap	29.69	kPa	569.54	Calculated Property
Pvap	49.91	kPa	581.98	Calculated Property
Pvap	81.61	kPa	594.42	Calculated Property
Pvap	130.13	kPa	606.87	Calculated Property
Pvap	202.66	kPa	619.31	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexadecanol, acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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