Chemical Properties of Hexatetracontane (CAS 7098-24-0)

InChI

InChI=1S/C46H94/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3

InChI Key

PVQAQPUODMPGGG-UHFFFAOYSA-N

Formula

C46H94

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

647.24

CAS

7098-24-0

• 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	1.7791		Relay (1.0) Calculated Property
ΔfG°	336.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-997.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	114.90	kJ/mol	Joback Calculated Property
ΔvapH°	233.30	kJ/mol	NIST
IE	10.84	eV	Relay (1.0) Calculated Property
log10WS	-15.74		Relay (1.0) Calculated Property
logPoct/wat	18.191		Crippen Calculated Property
McVol	659.000	ml/mol	McGowan Calculated Property
Pc	315.04	kPa	Joback Calculated Property
Tboil	734.81	K	Relay (1.0) Calculated Property
Tc	894.94	K	Relay (1.0) Calculated Property
Tfus	[361.00; 361.00]	K
Tfus	361.00 ± 4.00	K	NIST
Tfus	361.00 ± 2.00	K	NIST
Vc	2.632	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	151.40	kJ/mol	360.70	NIST
ΔvapH	[142.80; 233.30]	kJ/mol	[298.15; 709.00]
ΔvapH	233.30	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	142.80	kJ/mol	709.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[981.31; 2392.51]	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			-3.89260e+01
Coefficient B			4.37384e+00
Coefficient C			-2.47860e-03
Coefficient D			5.36200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	981.31	J/mol×K	273.00	Calculated Property
Cp,gas	1221.97	J/mol×K	353.78	Calculated Property
Cp,gas	1437.70	J/mol×K	434.56	Calculated Property
Cp,gas	1630.20	J/mol×K	515.33	Calculated Property
Cp,gas	1801.18	J/mol×K	596.11	Calculated Property
Cp,gas	1952.33	J/mol×K	676.89	Calculated Property
Cp,gas	2085.34	J/mol×K	757.67	Calculated Property
Cp,gas	2201.91	J/mol×K	838.44	Calculated Property
Cp,gas	2303.74	J/mol×K	919.22	Calculated Property
Cp,gas	2392.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0171616; 0.0000016]	Pa×s	[361.00; 1299.51]	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			-1.69233e+01
Coefficient B			4.64180e+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.			361.00
Temperature range, max.			1299.51
η	0.0171616	Pa×s	361.00	Calculated Property
η	0.0009616	Pa×s	465.28	Calculated Property
η	0.0001548	Pa×s	569.56	Calculated Property
η	0.0000439	Pa×s	673.84	Calculated Property
η	0.0000174	Pa×s	778.12	Calculated Property
η	0.0000086	Pa×s	882.39	Calculated Property
η	0.0000049	Pa×s	986.67	Calculated Property
η	0.0000031	Pa×s	1090.95	Calculated Property
η	0.0000022	Pa×s	1195.23	Calculated Property
η	0.0000016	Pa×s	1299.51	Calculated Property

Similar Compounds

Find more compounds similar to Hexatetracontane.

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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