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

• 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).
• 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
ΔfG°	454.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1281.73	kJ/mol	Joback Calculated Property
ΔfusH°	151.16	kJ/mol	Joback Calculated Property
ΔvapH°	299.90 ± 2.00	kJ/mol	NIST
log10WS	-24.94		Crippen 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	1572.20	K	Joback Calculated Property
Tc	974.00	K	Critica...
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	3.396	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[3637.97; 14402.72]	J/mol×K	[1572.20; 3884.17]
Cp,gas	3637.97	J/mol×K	1572.20	Joback Calculated Property
Cp,gas	3969.36	J/mol×K	1957.53	Joback Calculated Property
Cp,gas	4564.18	J/mol×K	2342.86	Joback Calculated Property
Cp,gas	5663.66	J/mol×K	2728.19	Joback Calculated Property
Cp,gas	7509.08	J/mol×K	3113.52	Joback Calculated Property
Cp,gas	10341.68	J/mol×K	3498.85	Joback Calculated Property
Cp,gas	14402.72	J/mol×K	3884.17	Joback Calculated Property
η	[0.0000002; 0.0000086]	Pa×s	[765.96; 1572.20]
η	0.0000086	Pa×s	765.96	Joback Calculated Property
η	0.0000027	Pa×s	900.33	Joback Calculated Property
η	0.0000011	Pa×s	1034.71	Joback Calculated Property
η	0.0000006	Pa×s	1169.08	Joback Calculated Property
η	0.0000003	Pa×s	1303.45	Joback Calculated Property
η	0.0000002	Pa×s	1437.83	Joback Calculated Property
η	0.0000002	Pa×s	1572.20	Joback Calculated Property
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	Hypothe...
ΔvapH	163.00	kJ/mol	765.50	NIST

Similar Compounds

Find more compounds similar to Hexacontane.

Sources

• 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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