Chemical Properties of 1-Hexacosanol (CAS 506-52-5)

InChI

InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3

InChI Key

IRHTZOCLLONTOC-UHFFFAOYSA-N

Formula

C26H54O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCO

Molecular Weight¹

382.72

CAS

506-52-5

Other Names

• Cerylic alcohol
• ceryl alcohol
• hexacosan-1-ol
• hexacosyl alcohol
• n-Hexacosanol

• 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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	1.3427		Relay (1.0) Calculated Property
ΔfG°	31.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-745.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.18	kJ/mol	Joback Calculated Property
ΔvapH°	148.00 ± 0.80	kJ/mol	NIST
IE	10.34	eV	Relay (1.0) Calculated Property
log10WS	-9.20		Relay (1.0) Calculated Property
logPoct/wat	9.361		Crippen Calculated Property
McVol	383.070	ml/mol	McGowan Calculated Property
Pc	762.26	kPa	Joback Calculated Property
Inp	[2848.00; 2906.30]
Inp	2848.00		NIST
Inp	2852.00		NIST
Inp	Outlier 2906.30		NIST
Inp	2852.00		NIST
Inp	2900.00		NIST
Inp	2852.00		NIST
Inp	2848.00		NIST
Inp	2852.00		NIST
Inp	2862.00		NIST
Inp	2852.00		NIST
Tboil	649.67	K	Relay (1.0) Calculated Property
Tc	833.93	K	Relay (1.0) Calculated Property
Tfus	353.10	K	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
Vc	1.522	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1305.68; 1430.53]	J/mol×K	[886.66; 1093.71]
Cp,gas	1305.68	J/mol×K	886.66	Joback Calculated Property
Cp,gas	1329.63	J/mol×K	921.17	Joback Calculated Property
Cp,gas	1352.22	J/mol×K	955.68	Joback Calculated Property
Cp,gas	1373.53	J/mol×K	990.18	Joback Calculated Property
Cp,gas	1393.63	J/mol×K	1024.69	Joback Calculated Property
Cp,gas	1412.60	J/mol×K	1059.20	Joback Calculated Property
Cp,gas	1430.53	J/mol×K	1093.71	Joback Calculated Property
η	[0.0000064; 0.0009972]	Pa×s	[443.60; 886.66]
η	0.0009972	Pa×s	443.60	Joback Calculated Property
η	0.0002361	Pa×s	517.44	Joback Calculated Property
η	0.0000801	Pa×s	591.29	Joback Calculated Property
η	0.0000346	Pa×s	665.13	Joback Calculated Property
η	0.0000176	Pa×s	738.97	Joback Calculated Property
η	0.0000102	Pa×s	812.82	Joback Calculated Property
η	0.0000064	Pa×s	886.66	Joback Calculated Property
ΔfusH	[16.74; 67.78]	kJ/mol	[332.20; 351.70]
ΔfusH	16.74	kJ/mol	332.20	NIST
ΔfusH	67.78	kJ/mol	351.70	NIST
ΔfusH	67.78	kJ/mol	351.70	NIST
ΔfusS	[50.39; 192.70]	J/mol×K	[332.20; 351.70]
ΔfusS	50.39	J/mol×K	332.20	NIST
ΔfusS	192.70	J/mol×K	351.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[544.60; 753.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51573e+01
Coefficient B			-6.09187e+03
Coefficient C			-1.34916e+02
Temperature range, min.			544.60
Temperature range, max.			753.64
Pvap	1.33	kPa	544.60	Calculated Property
Pvap	2.96	kPa	567.83	Calculated Property
Pvap	6.06	kPa	591.05	Calculated Property
Pvap	11.58	kPa	614.28	Calculated Property
Pvap	20.83	kPa	637.51	Calculated Property
Pvap	35.58	kPa	660.73	Calculated Property
Pvap	58.08	kPa	683.96	Calculated Property
Pvap	91.12	kPa	707.19	Calculated Property
Pvap	138.02	kPa	730.41	Calculated Property
Pvap	202.64	kPa	753.64	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexacosanol.

Sources

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

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