Chemical Properties of Hexacontane (CAS 7667-80-3)

InChI

InChI=1S/C60H122/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-60H2,1-2H3

InChI Key

OCWUCHKZAHTZAB-UHFFFAOYSA-N

Formula

C60H122

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

843.61

CAS

7667-80-3

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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	2.2700		Relay (1.0) Calculated Property
ΔfG°	454.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1283.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	151.16	kJ/mol	Joback Calculated Property
ΔvapH°	299.90 ± 2.00	kJ/mol	NIST
IE	11.39	eV	Relay (1.0) Calculated Property
log10WS	-19.54		Relay (1.0) Calculated Property
logPoct/wat	23.652		Crippen Calculated Property
McVol	856.260	ml/mol	McGowan Calculated Property
Pc	205.37	kPa	Joback Calculated Property
Tboil	820.75	K	Relay (1.0) Calculated Property
Tc	974.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
Tfus	[372.10; 375.00]	K
Tfus	372.10 ± 2.00	K	NIST
Tfus	375.00 ± 2.00	K	NIST
Tfus	375.00 ± 4.00	K	NIST
Tfus	375.00 ± 4.00	K	NIST
Vc	3.384	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	186.80	kJ/mol	373.20	NIST
ΔvapH	[163.00; 299.90]	kJ/mol	[298.15; 765.50]
ΔvapH	299.90	kJ/mol	298.15	Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number?
ΔvapH	163.00	kJ/mol	765.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1278.31; 3114.79]	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			-5.16520e+01
Coefficient B			5.70384e+00
Coefficient C			-3.24020e-03
Coefficient D			7.02800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	1278.31	J/mol×K	273.00	Calculated Property
Cp,gas	1591.82	J/mol×K	353.78	Calculated Property
Cp,gas	1872.78	J/mol×K	434.56	Calculated Property
Cp,gas	2123.41	J/mol×K	515.33	Calculated Property
Cp,gas	2345.94	J/mol×K	596.11	Calculated Property
Cp,gas	2542.59	J/mol×K	676.89	Calculated Property
Cp,gas	2715.57	J/mol×K	757.67	Calculated Property
Cp,gas	2867.12	J/mol×K	838.44	Calculated Property
Cp,gas	2999.45	J/mol×K	919.22	Calculated Property
Cp,gas	3114.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0295979; 0.0000225]	Pa×s	[374.27; 681.80]	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			-1.94443e+01
Coefficient B			5.96004e+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.			374.27
Temperature range, max.			681.80
η	0.0295979	Pa×s	374.27	Calculated Property
η	0.0078109	Pa×s	408.44	Calculated Property
η	0.0025320	Pa×s	442.61	Calculated Property
η	0.0009646	Pa×s	476.78	Calculated Property
η	0.0004181	Pa×s	510.95	Calculated Property
η	0.0002013	Pa×s	545.12	Calculated Property
η	0.0001056	Pa×s	579.29	Calculated Property
η	0.0000595	Pa×s	613.46	Calculated Property
η	0.0000357	Pa×s	647.63	Calculated Property
η	0.0000225	Pa×s	681.80	Calculated Property

Similar Compounds

Find more compounds similar to Hexacontane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
• Hypothetical Thermodynamic Properties: Vapor Pressures and Vaporization Enthalpies of the Even n-Alkanes from C40 to C76 at T = 298.15 K by Correlation-Gas Chromatography. Are the Vaporization Enthalpies a Linear Function of Carbon Number?
• Joback Method
• McGowan Method
• NIST Webbook

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