Chemical Properties of Octacosan-14-ol (CAS 138967-02-9)

InChI

InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3

InChI Key

JBKPMCOKLJUDQU-UHFFFAOYSA-N

Formula

C28H58O

SMILES

CCCCCCCCCCCCCCC(O)CCCCCCCCCCCCC

Molecular Weight¹

410.76

CAS

138967-02-9

• 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	1.3306		Relay (1.0) Calculated Property
ΔfG°	45.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-796.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.84	kJ/mol	Joback Calculated Property
ΔvapH°	163.62	kJ/mol	Relay (1.0) Calculated Property
IE	10.16	eV	Relay (1.0) Calculated Property
log10WS	-9.31		Relay (1.0) Calculated Property
logPoct/wat	10.140		Crippen Calculated Property
McVol	411.250	ml/mol	McGowan Calculated Property
Pc	690.34	kPa	Joback Calculated Property
Inp	[3010.30; 3010.30]
Inp	3010.30		NIST
Inp	3010.30		NIST
Tboil	653.35	K	Relay (1.0) Calculated Property
Tc	836.62	K	Relay (1.0) Calculated Property
Tfus	344.56	K	Relay (1.0) Calculated Property
Vc	1.630	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.65; 1483.08]	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			-1.89550e+01
Coefficient B			2.70374e+00
Coefficient C			-1.53300e-03
Coefficient D			3.31300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	611.65	J/mol×K	273.00	Calculated Property
Cp,gas	760.37	J/mol×K	353.78	Calculated Property
Cp,gas	893.67	J/mol×K	434.56	Calculated Property
Cp,gas	1012.60	J/mol×K	515.33	Calculated Property
Cp,gas	1118.20	J/mol×K	596.11	Calculated Property
Cp,gas	1211.54	J/mol×K	676.89	Calculated Property
Cp,gas	1293.64	J/mol×K	757.67	Calculated Property
Cp,gas	1365.57	J/mol×K	838.44	Calculated Property
Cp,gas	1428.37	J/mol×K	919.22	Calculated Property
Cp,gas	1483.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008767; 0.0000086]	Pa×s	[451.14; 810.43]	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			-1.74670e+01
Coefficient B			4.70433e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			451.14
Temperature range, max.			810.43
η	0.0008767	Pa×s	451.14	Calculated Property
η	0.0003756	Pa×s	491.06	Calculated Property
η	0.0001828	Pa×s	530.98	Calculated Property
η	0.0000984	Pa×s	570.90	Calculated Property
η	0.0000574	Pa×s	610.82	Calculated Property
η	0.0000358	Pa×s	650.74	Calculated Property
η	0.0000236	Pa×s	690.66	Calculated Property
η	0.0000162	Pa×s	730.59	Calculated Property
η	0.0000116	Pa×s	770.51	Calculated Property
η	0.0000086	Pa×s	810.43	Calculated Property

Similar Compounds

Find more compounds similar to Octacosan-14-ol.

Sources

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

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