Chemical Properties of Octacosanol (CAS 557-61-9)

InChI

InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3

InChI Key

CNNRPFQICPFDPO-UHFFFAOYSA-N

Formula

C28H58O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Molecular Weight¹

410.76

CAS

557-61-9

Other Names

• 1-octacosanol
• Cluytyl alcohol
• Montanyl alcohol
• Octacosyl alcohol
• n-octacosanol
• octacosan-1-ol

• 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).
• P_vap : Vapor 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	1.4124		Relay (1.0) Calculated Property
ΔfG°	48.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-786.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	108.44	kJ/mol	Solubility of commercial octacosanol in organic solvents and their correlation by thermodynamic models at different temperatures
ΔvapH°	172.12	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
log10WS	-9.75		Relay (1.0) Calculated Property
logPoct/wat	10.141		Crippen Calculated Property
McVol	411.250	ml/mol	McGowan Calculated Property
Pc	687.45	kPa	Joback Calculated Property
Inp	[3110.60; 3120.00]
Inp	3110.60		NIST
Inp	3118.10		NIST
Inp	3120.00		NIST
Inp	3110.60		NIST
Tboil	661.98	K	Relay (1.0) Calculated Property
Tc	846.26	K	Relay (1.0) Calculated Property
Tfus	350.31	K	Relay (1.0) Calculated Property
Vc	1.632	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.97; 1482.55]	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			-1.72730e+01
Coefficient B			2.69782e+00
Coefficient C			-1.52980e-03
Coefficient D			3.31800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	611.97	J/mol×K	273.00	Calculated Property
Cp,gas	760.38	J/mol×K	353.78	Calculated Property
Cp,gas	893.42	J/mol×K	434.56	Calculated Property
Cp,gas	1012.15	J/mol×K	515.33	Calculated Property
Cp,gas	1117.60	J/mol×K	596.11	Calculated Property
Cp,gas	1210.83	J/mol×K	676.89	Calculated Property
Cp,gas	1292.89	J/mol×K	757.67	Calculated Property
Cp,gas	1364.84	J/mol×K	838.44	Calculated Property
Cp,gas	1427.70	J/mol×K	919.22	Calculated Property
Cp,gas	1482.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006608; 0.0000093]	Pa×s	[466.14; 812.47]	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			-1.73330e+01
Coefficient B			4.66651e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.14
Temperature range, max.			812.47
η	0.0006608	Pa×s	466.14	Calculated Property
η	0.0003080	Pa×s	504.62	Calculated Property
η	0.0001600	Pa×s	543.10	Calculated Property
η	0.0000906	Pa×s	581.58	Calculated Property
η	0.0000551	Pa×s	620.06	Calculated Property
η	0.0000355	Pa×s	658.54	Calculated Property
η	0.0000240	Pa×s	697.02	Calculated Property
η	0.0000169	Pa×s	735.50	Calculated Property
η	0.0000123	Pa×s	773.98	Calculated Property
η	0.0000093	Pa×s	812.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[562.20; 775.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52464e+01
Coefficient B			-6.30015e+03
Coefficient C			-1.41032e+02
Temperature range, min.			562.20
Temperature range, max.			775.18
Pvap	1.33	kPa	562.20	Calculated Property
Pvap	2.95	kPa	585.86	Calculated Property
Pvap	6.04	kPa	609.53	Calculated Property
Pvap	11.53	kPa	633.19	Calculated Property
Pvap	20.75	kPa	656.86	Calculated Property
Pvap	35.46	kPa	680.52	Calculated Property
Pvap	57.92	kPa	704.19	Calculated Property
Pvap	90.95	kPa	727.85	Calculated Property
Pvap	137.89	kPa	751.52	Calculated Property
Pvap	202.66	kPa	775.18	Calculated Property

Similar Compounds

Find more compounds similar to Octacosanol.

Mixtures

• Octacosanol + 1-Pentanol
• Octacosanol + 1-Hexanol
• Toluene + Octacosanol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of commercial octacosanol in organic solvents and their correlation by thermodynamic models at different temperatures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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