Chemical Properties of 1-Hexadecanol (CAS 36653-82-4)

InChI

InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

InChI Key

BXWNKGSJHAJOGX-UHFFFAOYSA-N

Formula

C16H34O

SMILES

CCCCCCCCCCCCCCCCO

Molecular Weight¹

242.44

CAS

36653-82-4

Other Names

• 1-Cetanol
• 1-Hexadecyl alcohol
• 1-Hexanedecanol
• 1-Hydroxyhexadecane
• 19141-82-3
• Adol 52
• Adol 52 NF
• Adol 520
• Adol 54
• Alcohol c-16
• Aldol 54
• Alfol 16
• Alfol 16RD
• Atalco C
• CO-1670
• CO-1695
• Cachalot C-50
• Cachalot C-50 NF
• Cachalot C-51
• Cachalot C-52
• Cetaffine
• Cetal
• Cetalol CA
• Cetanol
• Cetyl alcohol
• Cetyl alcohol NF
• Cetylic alcohol
• Cetylol
• Crodacol C
• Crodacol C70
• Crodacol C95 NF
• Crodacol-CAS
• Crodacol-CAT
• Dytol F-11
• ETHAL
• Elfacos C
• Epal 16
• Epal 16NF
• Ethol
• Fancol CA
• Hexadecan-1-ol
• Hexadecanol
• Hexadecyl alcohol
• Hyfatol 16
• Hyfatol 16-95
• Kalcol 6098
• Lanette 16
• Lanol C
• Laurex 16
• Lipocol C
• Lorol 24
• Lorol C16
• LorolL 24
• Loxanol K
• Loxanol K extra
• Loxanwachs SK
• N-CETYL ALCOHOL
• N-HEXADECYL ALCOHOL
• Palmitic alcohol
• Palmityl alcohol
• Philcohol 1600
• Product 308
• Rita CA
• Siponol CC
• Siponol wax-A
• n-1-Hexadecanol
• n-Hexadecan-1-ol
• n-Hexadecanol

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boil : Boiling point at given pressure (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0180		KDB
ΔcH°solid	[-10510.00; -10468.90]	kJ/mol
ΔcH°solid	-10510.00 ± 8.00	kJ/mol	NIST
ΔcH°solid	-10468.90 ± 0.70	kJ/mol	NIST
ΔcH°solid	-10486.30 ± 1.70	kJ/mol	NIST
ΔcH°solid	-10471.90 ± 3.80	kJ/mol	NIST
ΔfG°	-52.98	kJ/mol	Joback Calculated Property
ΔfH°gas	[-517.50; -513.70]	kJ/mol
ΔfH°gas	-516.80	kJ/mol	NIST
ΔfH°gas	-517.50 ± 3.20	kJ/mol	NIST
ΔfH°gas	-513.70	kJ/mol	NIST
ΔfH°solid	[-687.10; -683.30]	kJ/mol
ΔfH°solid	-686.40 ± 0.40	kJ/mol	NIST
ΔfH°solid	-687.10 ± 2.00	kJ/mol	NIST
ΔfH°solid	-683.30 ± 3.80	kJ/mol	NIST
ΔfusH°	[56.40; 107.70]	kJ/mol
ΔfusH°	56.40	kJ/mol	Solid-L...
ΔfusH°	107.70	kJ/mol	Evaluat...
ΔsubH°	[167.00; 169.60]	kJ/mol
ΔsubH°	169.50 ± 2.50	kJ/mol	NIST
ΔsubH°	169.60	kJ/mol	NIST
ΔsubH°	167.00 ± 2.00	kJ/mol	NIST
ΔsubH°	169.50 ± 2.10	kJ/mol	NIST
ΔvapH°	[107.70; 112.50]	kJ/mol
ΔvapH°	107.70 ± 1.20	kJ/mol	NIST
ΔvapH°	108.80	kJ/mol	NIST
ΔvapH°	112.50	kJ/mol	NIST
log10WS	[-7.26; -7.00]
log10WS	-7.26		Aq. Sol...
log10WS	-7.00		Estimat...
logPoct/wat	5.460		Crippen Calculated Property
McVol	242.170	ml/mol	McGowan Calculated Property
Pc	1610.00	kPa	KDB
Inp	[312.09; 1900.00]
Inp	1868.30		NIST
Inp	1866.00		NIST
Inp	1875.30		NIST
Inp	1877.00		NIST
Inp	1874.00		NIST
Inp	1852.00		NIST
Inp	1858.00		NIST
Inp	1862.00		NIST
Inp	1862.00		NIST
Inp	1861.00		NIST
Inp	1865.00		NIST
Inp	1866.00		NIST
Inp	1862.00		NIST
Inp	1861.00		NIST
Inp	1864.00		NIST
Inp	1883.00		NIST
Inp	1856.00		NIST
Inp	1856.00		NIST
Inp	1863.00		NIST
Inp	1882.00		NIST
Inp	1850.00		NIST
Inp	1852.00		NIST
Inp	1880.00		NIST
Inp	1876.00		NIST
Inp	1882.00		NIST
Inp	1877.00		NIST
Inp	1871.00		NIST
Inp	1877.00		NIST
Inp	1882.00		NIST
Inp	1879.00		NIST
Inp	1879.00		NIST
Inp	1882.00		NIST
Inp	1879.00		NIST
Inp	1881.00		NIST
Inp	1900.00		NIST
Inp	1864.00		NIST
Inp	1882.00		NIST
Inp	1881.00		NIST
Inp	1882.00		NIST
Inp	1864.00		NIST
Inp	1852.00		NIST
Inp	1856.00		NIST
Inp	1856.00		NIST
Inp	1880.00		NIST
Inp	1883.90		NIST
Inp	1876.00		NIST
Inp	1881.00		NIST
Inp	1866.00		NIST
Inp	1877.00		NIST
Inp	1852.00		NIST
Inp	1852.00		NIST
Inp	1882.00		NIST
Inp	1882.00		NIST
Inp	1880.00		NIST
Inp	1882.00		NIST
Inp	1883.00		NIST
Inp	1864.00		NIST
Inp	1879.00		NIST
Inp	1865.00		NIST
Inp	1870.00		NIST
Inp	1879.00		NIST
Inp	1886.00		NIST
Inp	1882.00		NIST
Inp	1874.00		NIST
Inp	1873.00		NIST
Inp	1880.00		NIST
Inp	1858.00		NIST
Inp	1866.00		NIST
Inp	1875.00		NIST
Inp	1874.00		NIST
Inp	1864.00		NIST
Inp	1875.00		NIST
Inp	1892.00		NIST
Inp	1841.00		NIST
Inp	1860.00		NIST
Inp	1883.50		NIST
Inp	1878.00		NIST
Inp	1879.00		NIST
Inp	1886.00		NIST
Inp	1875.00		NIST
Inp	1881.00		NIST
Inp	1876.00		NIST
Inp	1879.00		NIST
Inp	1870.00		NIST
Inp	1870.00		NIST
Inp	1876.00		NIST
Inp	1879.00		NIST
Inp	1880.00		NIST
Inp	1839.00		NIST
Inp	1863.00		NIST
Inp	1841.00		NIST
Inp	1863.00		NIST
Inp	1869.00		NIST
Inp	1872.00		NIST
Inp	1890.00		NIST
Inp	1884.00		NIST
Inp	1885.00		NIST
Inp	1894.00		NIST
Inp	1878.00		NIST
Inp	1895.00		NIST
Inp	1894.00		NIST
Inp	1876.00		NIST
Inp	1871.00		NIST
Inp	1854.00		NIST
Inp	1888.00		NIST
Inp	1875.00		NIST
Inp	1865.00		NIST
Inp	1870.00		NIST
Inp	1881.00		NIST
Inp	1876.00		NIST
Inp	1876.00		NIST
Inp	1881.00		NIST
Inp	1894.00		NIST
Inp	1881.00		NIST
Inp	1876.00		NIST
Inp	1878.00		NIST
Inp	Outlier 312.09		NIST
Inp	Outlier 315.14		NIST
Inp	Outlier 314.03		NIST
Inp	1876.00		NIST
Inp	1882.00		NIST
Inp	1881.00		NIST
Inp	1880.00		NIST
Inp	1883.90		NIST
Inp	1852.00		NIST
Inp	1868.30		NIST
Inp	1865.00		NIST
Inp	Outlier 312.09		NIST
I	[2332.00; 2400.00]
I	2342.00		NIST
I	2379.00		NIST
I	2365.00		NIST
I	2362.00		NIST
I	2367.00		NIST
I	2370.00		NIST
I	2375.00		NIST
I	2363.00		NIST
I	2387.00		NIST
I	Outlier 2332.00		NIST
I	2382.00		NIST
I	2387.00		NIST
I	2385.00		NIST
I	2391.00		NIST
I	2361.00		NIST
I	2400.00		NIST
I	2400.00		NIST
I	2381.00		NIST
I	2352.00		NIST
I	2352.00		NIST
I	Outlier 2333.00		NIST
I	2365.00		NIST
I	2400.00		NIST
I	2355.00		NIST
I	2364.00		NIST
I	2387.00		NIST
I	2386.00		NIST
I	2387.00		NIST
I	2383.00		NIST
I	2378.00		NIST
I	2393.00		NIST
I	2377.00		NIST
I	2376.00		NIST
I	2380.00		NIST
I	2380.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	Outlier 2332.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2387.00		NIST
I	2352.00		NIST
S°gas	853.00 ± 17.00	J/mol×K	NIST
S°solid,1 bar	451.90	J/mol×K	NIST
Tboil	[607.00; 613.15]	K
Tboil	607.00	K	KDB
Tboil	613.15 ± 5.00	K	NIST
Tc	770.00	K	KDB
Tfus	[321.15; 324.23]	K
Tfus	322.40	K	KDB
Tfus	324.23	K	Aq. Sol...
Tfus	322.20	K	Phase d...
Tfus	322.91	K	Thermod...
Tfus	321.15	K	The man...
Tfus	322.20	K	High Pr...
Ttriple	[318.32; 322.65]	K
Ttriple	321.47 ± 0.10	K	NIST
Ttriple	322.25 ± 0.06	K	NIST
Ttriple	322.24 ± 0.06	K	NIST
Ttriple	318.90 ± 0.30	K	NIST
Ttriple	318.32 ± 0.30	K	NIST
Ttriple	322.46 ± 0.05	K	NIST
Ttriple	322.65 ± 0.50	K	NIST
Vc	0.951	m3/kmol	KDB
Zc	0.2390290		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[692.59; 784.28]	J/mol×K	[657.66; 817.45]
T(K) Ideal gas heat capacity (J/mol×K) 700 720 740 760 780 700 750 800
Cp,gas	692.59	J/mol×K	657.66	Joback Calculated Property
Cp,gas	709.54	J/mol×K	684.29	Joback Calculated Property
Cp,gas	725.79	J/mol×K	710.92	Joback Calculated Property
Cp,gas	741.37	J/mol×K	737.55	Joback Calculated Property
Cp,gas	756.29	J/mol×K	764.18	Joback Calculated Property
Cp,gas	770.59	J/mol×K	790.82	Joback Calculated Property
Cp,gas	784.28	J/mol×K	817.45	Joback Calculated Property
Cp,liquid	[524.00; 618.20]	J/mol×K	[323.00; 333.15]
Cp,liquid	524.00	J/mol×K	323.00	NIST
Cp,liquid	618.20	J/mol×K	333.15	NIST
Cp,solid	[422.00; 441.24]	J/mol×K	[290.00; 298.15]
Cp,solid	441.24	J/mol×K	290.00	NIST
Cp,solid	422.00	J/mol×K	298.15	NIST
η	[0.0000413; 0.0083589]	Pa×s	[330.90; 657.66]
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 400 500 600
η	0.0083589	Pa×s	330.90	Joback Calculated Property
η	0.0018458	Pa×s	385.36	Joback Calculated Property
η	0.0005925	Pa×s	439.82	Joback Calculated Property
η	0.0002443	Pa×s	494.28	Joback Calculated Property
η	0.0001201	Pa×s	548.74	Joback Calculated Property
η	0.0000671	Pa×s	603.20	Joback Calculated Property
η	0.0000413	Pa×s	657.66	Joback Calculated Property
ΔfusH	[33.10; 57.70]	kJ/mol	[225.00; 322.90]
ΔfusH	57.70	kJ/mol	225.00	NIST
ΔfusH	34.73	kJ/mol	320.00	NIST
ΔfusH	33.10	kJ/mol	321.60	NIST
ΔfusH	33.97	kJ/mol	322.90	NIST
ΔsubH	167.40 ± 2.10	kJ/mol	314.00	NIST
ΔvapH	[68.90; 112.30]	kJ/mol	[329.00; 617.20]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 70 80 90 100 110 400 500 600
ΔvapH	109.50	kJ/mol	329.00	NIST
ΔvapH	109.40	kJ/mol	329.00	NIST
ΔvapH	100.40	kJ/mol	345.00	NIST
ΔvapH	112.30	kJ/mol	349.50	NIST
ΔvapH	88.20	kJ/mol	403.00	NIST
ΔvapH	78.80	kJ/mol	440.50	NIST
ΔvapH	83.20	kJ/mol	451.00	NIST
ΔvapH	77.30	kJ/mol	521.50	NIST
ΔvapH	68.90	kJ/mol	539.00	NIST
ΔvapH	73.35	kJ/mol	617.20	KDB
ΔfusS	108.50	J/mol×K	320.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[464.78; 649.14]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50566e+01
Coefficient B			-5.28146e+03
Coefficient C			-1.07180e+02
Temperature range, min.			464.78
Temperature range, max.			649.14
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600 650
Pvap	1.33	kPa	464.78	Calculated Property
Pvap	2.97	kPa	485.26	Calculated Property
Pvap	6.08	kPa	505.75	Calculated Property
Pvap	11.63	kPa	526.23	Calculated Property
Pvap	20.92	kPa	546.72	Calculated Property
Pvap	35.72	kPa	567.20	Calculated Property
Pvap	58.28	kPa	587.69	Calculated Property
Pvap	91.34	kPa	608.17	Calculated Property
Pvap	138.20	kPa	628.66	Calculated Property
Pvap	202.66	kPa	649.14	Calculated Property
Pvap	[5.25e-05; 1689.08]	kPa	[322.35; 761.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.18319e+02
Coefficient B			-2.59164e+04
Coefficient C			-4.32052e+01
Coefficient D			1.69556e-05
Temperature range, min.			322.35
Temperature range, max.			761.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 400 500 600 700
Pvap	5.25e-05	kPa	322.35	Calculated Property
Pvap	8.18e-03	kPa	371.09	Calculated Property
Pvap	0.25	kPa	419.83	Calculated Property
Pvap	2.81	kPa	468.57	Calculated Property
Pvap	16.19	kPa	517.31	Calculated Property
Pvap	60.52	kPa	566.04	Calculated Property
Pvap	170.70	kPa	614.78	Calculated Property
Pvap	402.05	kPa	663.52	Calculated Property
Pvap	848.75	kPa	712.26	Calculated Property
Pvap	1689.08	kPa	761.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexadecanol.

Mixtures

• 1-Hexadecanol + 2,3-Pentanedione
• Quinoline + 1-Hexadecanol
• 1-Dodecanol + 1-Hexadecanol
• 1-Hexadecanol + 1-Tetradecanol
• 1-Hexadecanol + 1-Octadecanol
• 1-Hexadecanol + Methyl tetradecanoate
• Octadecanoic acid + 1-Hexadecanol
• Propane + 1-Hexadecanol
• 1-Hexadecanol + 1-Decanol
• Carbon dioxide + 1-Hexadecanol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Phase diagrams of binary systems containing n-alkanes, or cyclohexane, or 1-alkanols and 2,3-pentanedione at atmospheric and high pressure
• Phase equilibria of high molecular mass 1-alcohols in supercritical propane
• The solid-liquid phase diagrams of binary mixtures of even saturated fatty alcohols
• Vapor-liquid equilibria of monoacylglicerol + monoacylglicerol or alcohol or fatty acid at subatmospheric pressures
• Thermodynamics of organic mixtures containing amines. VIII. Systems with quinoline
• The manufacture of organic carbonate-poly(methyl ethylacrylate) nanowebs with thermal buffering effect
• High Pressure Solid-Liquid Equilibrium of Fatty Alcohols Binary Systems from 1-Dodecanol, 1-Tetradecanol, 1-Hexadecanol, and 1-Octadecanol
• High Pressure Phase Behavior of the Homologous Series CO2 + 1-Alcohols
• Vapor-Liquid Equilibria of Binary Systems with Long-Chain Organic Compounds (Fatty Alcohol, Fatty Ester, Acylglycerol, and n-Paraffin) at Subatmospheric Pressures
• Solid-Liquid Equilibrium of Binary Systems Containing Fatty Acids and Fatty Alcohols Using Differential Scanning Calorimetry
• Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
• Liquid-Liquid Phase Behavior of Solutions of 1-Dodecyl-3-methylimidazolium Bis(trifluoromethylsulphonyl)imide (C12mimNTf2) in n- Alkyl Alcohols
• Liquid-Liquid Phase Behavior of Solutions of 1-Octyl- and 1-Decyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide (C8,10mimNTf2) in n-Alkyl Alcohols
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.