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

• 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).
• 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
ΔfG°	48.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-773.48	kJ/mol	Joback Calculated Property
ΔfusH°	108.44	kJ/mol	Solubil...
ΔvapH°	94.60	kJ/mol	Joback Calculated Property
log10WS	-10.81		Crippen 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	932.22	K	Joback Calculated Property
Tc	1160.42	K	Joback Calculated Property
Tfus	466.14	K	Joback Calculated Property
Vc	1.623	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1437.04; 1571.81]	J/mol×K	[932.22; 1160.42]
Cp,gas	1437.04	J/mol×K	932.22	Joback Calculated Property
Cp,gas	1463.22	J/mol×K	970.25	Joback Calculated Property
Cp,gas	1487.76	J/mol×K	1008.29	Joback Calculated Property
Cp,gas	1510.78	J/mol×K	1046.32	Joback Calculated Property
Cp,gas	1532.39	J/mol×K	1084.35	Joback Calculated Property
Cp,gas	1552.70	J/mol×K	1122.38	Joback Calculated Property
Cp,gas	1571.81	J/mol×K	1160.42	Joback Calculated Property
η	[0.0000044; 0.0006608]	Pa×s	[466.14; 932.22]
η	0.0006608	Pa×s	466.14	Joback Calculated Property
η	0.0001581	Pa×s	543.82	Joback Calculated Property
η	0.0000541	Pa×s	621.50	Joback Calculated Property
η	0.0000235	Pa×s	699.18	Joback Calculated Property
η	0.0000121	Pa×s	776.86	Joback Calculated Property
η	0.0000070	Pa×s	854.54	Joback Calculated Property
η	0.0000044	Pa×s	932.22	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[562.20; 775.18]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• 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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