Chemical Properties of 1-Eicosanol, 2-hexadecyl- (CAS 17658-63-8)

InChI

InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3

InChI Key

JQJGGMZIMBGQQY-UHFFFAOYSA-N

Formula

C36H74O

SMILES

CCCCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCCCC

Molecular Weight¹

522.97

CAS

17658-63-8

Other Names

• Pentatriacontane, 17-(hydroxymethyl)-
• 2-hexadecylicosanol

• 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).
• 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).
• I_np : Non-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	1.6089		Relay (1.0) Calculated Property
ΔfG°	112.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-935.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	89.56	kJ/mol	Joback Calculated Property
ΔvapH°	198.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.38	eV	Relay (1.0) Calculated Property
log10WS	-11.80		Relay (1.0) Calculated Property
logPoct/wat	13.118		Crippen Calculated Property
McVol	523.970	ml/mol	McGowan Calculated Property
Pc	477.98	kPa	Joback Calculated Property
Inp	[3782.00; 3782.00]
Inp	3782.00		NIST
Inp	3782.00		NIST
Tboil	712.68	K	Relay (1.0) Calculated Property
Tc	894.74	K	Relay (1.0) Calculated Property
Tfus	330.56	K	Relay (1.0) Calculated Property
Vc	2.019	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.36; 1895.81]	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			-2.62270e+01
Coefficient B			3.46374e+00
Coefficient C			-1.96820e-03
Coefficient D			4.26500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	781.36	J/mol×K	273.00	Calculated Property
Cp,gas	971.71	J/mol×K	353.78	Calculated Property
Cp,gas	1142.29	J/mol×K	434.56	Calculated Property
Cp,gas	1294.43	J/mol×K	515.33	Calculated Property
Cp,gas	1429.49	J/mol×K	596.11	Calculated Property
Cp,gas	1548.83	J/mol×K	676.89	Calculated Property
Cp,gas	1653.77	J/mol×K	757.67	Calculated Property
Cp,gas	1745.69	J/mol×K	838.44	Calculated Property
Cp,gas	1825.92	J/mol×K	919.22	Calculated Property
Cp,gas	1895.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001609; 0.0000013]	Pa×s	[541.30; 1041.72]	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			-1.88174e+01
Coefficient B			5.45761e+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.			541.30
Temperature range, max.			1041.72
η	0.0001609	Pa×s	541.30	Calculated Property
η	0.0000629	Pa×s	596.90	Calculated Property
η	0.0000289	Pa×s	652.50	Calculated Property
η	0.0000150	Pa×s	708.11	Calculated Property
η	0.0000085	Pa×s	763.71	Calculated Property
η	0.0000053	Pa×s	819.31	Calculated Property
η	0.0000034	Pa×s	874.91	Calculated Property
η	0.0000024	Pa×s	930.51	Calculated Property
η	0.0000017	Pa×s	986.11	Calculated Property
η	0.0000013	Pa×s	1041.72	Calculated Property

Similar Compounds

Find more compounds similar to 1-Eicosanol, 2-hexadecyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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