Chemical Properties of tetrahexacontane (CAS 7719-87-1)

InChI

InChI=1S/C64H130/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-64H2,1-2H3

InChI Key

QEQOTIFAPIDGFL-UHFFFAOYSA-N

Formula

C64H130

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

899.72

CAS

7719-87-1

• 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).
• 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	2.4104		Relay (1.0) Calculated Property
ΔfG°	488.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1364.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	161.52	kJ/mol	Joback Calculated Property
ΔvapH°	315.40 ± 0.40	kJ/mol	NIST
IE	11.54	eV	Relay (1.0) Calculated Property
log10WS	-20.63		Relay (1.0) Calculated Property
logPoct/wat	25.212		Crippen Calculated Property
McVol	912.620	ml/mol	McGowan Calculated Property
Pc	184.51	kPa	Joback Calculated Property
Tboil	845.27	K	Relay (1.0) Calculated Property
Tc	981.61	K	Relay (1.0) Calculated Property
Tfus	[371.00; 375.20]	K
Tfus	375.20 ± 0.25	K	NIST
Tfus	375.00 ± 4.00	K	NIST
Tfus	371.00 ± 4.00	K	NIST
Vc	3.598	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[168.30; 315.40]	kJ/mol	[298.15; 778.50]
ΔvapH	315.40	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	168.30	kJ/mol	778.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1363.16; 3321.15]	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			-5.52880e+01
Coefficient B			6.08384e+00
Coefficient C			-3.45780e-03
Coefficient D			7.50400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	1363.16	J/mol×K	273.00	Calculated Property
Cp,gas	1697.49	J/mol×K	353.78	Calculated Property
Cp,gas	1997.09	J/mol×K	434.56	Calculated Property
Cp,gas	2264.33	J/mol×K	515.33	Calculated Property
Cp,gas	2501.59	J/mol×K	596.11	Calculated Property
Cp,gas	2711.23	J/mol×K	676.89	Calculated Property
Cp,gas	2895.64	J/mol×K	757.67	Calculated Property
Cp,gas	3057.18	J/mol×K	838.44	Calculated Property
Cp,gas	3198.22	J/mol×K	919.22	Calculated Property
Cp,gas	3321.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0399229; 8.9385972e-09]	Pa×s	[373.73; 3856.77]	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			-2.01759e+01
Coefficient B			6.33668e+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.			373.73
Temperature range, max.			3856.77
η	0.0399229	Pa×s	373.73	Calculated Property
η	0.0000072	Pa×s	760.74	Calculated Property
η	0.0000004	Pa×s	1147.74	Calculated Property
η	0.0000001	Pa×s	1534.74	Calculated Property
η	4.6745916e-08	Pa×s	1921.75	Calculated Property
η	2.6896861e-08	Pa×s	2308.75	Calculated Property
η	1.8137633e-08	Pa×s	2695.76	Calculated Property
η	1.3502806e-08	Pa×s	3082.76	Calculated Property
η	1.0736323e-08	Pa×s	3469.76	Calculated Property
η	8.9385972e-09	Pa×s	3856.77	Calculated Property

Similar Compounds

Find more compounds similar to tetrahexacontane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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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