Chemical Properties of Dotetracontane (CAS 7098-20-6)

InChI

InChI=1S/C42H86/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3

InChI Key

FTJPDYTXORWVLU-UHFFFAOYSA-N

Formula

C42H86

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

591.13

CAS

7098-20-6

Other Names

• n-Dotetracontane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• P_vap : Vapor 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	1.6389		Relay (1.0) Calculated Property
ΔfG°	302.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	165.97	kJ/mol	Observation of multiple phase transitions in some even n-alkanes using a high resolution and super-sensitive DSC
ΔvapH°	213.50	kJ/mol	NIST
IE	10.68	eV	Relay (1.0) Calculated Property
log10WS	-14.65		Relay (1.0) Calculated Property
logPoct/wat	16.630		Crippen Calculated Property
McVol	602.640	ml/mol	McGowan Calculated Property
Pc	362.81	kPa	Joback Calculated Property
Tboil	710.20	K	Relay (1.0) Calculated Property
Tc	874.31	K	Relay (1.0) Calculated Property
Tfus	[356.10; 356.10]	K
Tfus	356.10 ± 2.00	K	NIST
Tfus	356.10 ± 4.00	K	NIST
Vc	2.416	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[1425.00; 1646.00]	J/mol×K	[353.00; 450.00]
Cp,liquid	1425.00	J/mol×K	353.00	NIST
Cp,liquid	1440.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1463.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1486.00	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1509.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1531.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1554.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1577.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1600.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1623.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1646.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	165.97	kJ/mol	357.30	NIST
ΔvapH	[136.00; 213.50]	kJ/mol	[298.15; 688.50]
ΔvapH	213.50	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	136.00	kJ/mol	688.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[896.46; 2186.15]	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			-3.52900e+01
Coefficient B			3.99384e+00
Coefficient C			-2.26100e-03
Coefficient D			4.88600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	896.46	J/mol×K	273.00	Calculated Property
Cp,gas	1116.29	J/mol×K	353.78	Calculated Property
Cp,gas	1313.39	J/mol×K	434.56	Calculated Property
Cp,gas	1489.29	J/mol×K	515.33	Calculated Property
Cp,gas	1645.54	J/mol×K	596.11	Calculated Property
Cp,gas	1783.69	J/mol×K	676.89	Calculated Property
Cp,gas	1905.28	J/mol×K	757.67	Calculated Property
Cp,gas	2011.85	J/mol×K	838.44	Calculated Property
Cp,gas	2104.96	J/mol×K	919.22	Calculated Property
Cp,gas	2186.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0144003; 0.0000041]	Pa×s	[356.10; 1119.33]	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			-1.62179e+01
Coefficient B			4.26516e+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.			356.10
Temperature range, max.			1119.33
η	0.0144003	Pa×s	356.10	Calculated Property
η	0.0014384	Pa×s	440.90	Calculated Property
η	0.0003021	Pa×s	525.71	Calculated Property
η	0.0000979	Pa×s	610.51	Calculated Property
η	0.0000418	Pa×s	695.31	Calculated Property
η	0.0000214	Pa×s	780.12	Calculated Property
η	0.0000125	Pa×s	864.92	Calculated Property
η	0.0000081	Pa×s	949.72	Calculated Property
η	0.0000056	Pa×s	1034.53	Calculated Property
η	0.0000041	Pa×s	1119.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[636.54; 862.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41329e+01
Coefficient B			-5.48809e+03
Coefficient C			-2.40150e+02
Temperature range, min.			636.54
Temperature range, max.			862.28
Pvap	1.33	kPa	636.54	Calculated Property
Pvap	3.04	kPa	661.62	Calculated Property
Pvap	6.32	kPa	686.70	Calculated Property
Pvap	12.14	kPa	711.79	Calculated Property
Pvap	21.85	kPa	736.87	Calculated Property
Pvap	37.16	kPa	761.95	Calculated Property
Pvap	60.20	kPa	787.03	Calculated Property
Pvap	93.48	kPa	812.12	Calculated Property
Pvap	139.89	kPa	837.20	Calculated Property
Pvap	202.64	kPa	862.28	Calculated Property

Similar Compounds

Find more compounds similar to Dotetracontane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Observation of multiple phase transitions in some even n-alkanes using a high resolution and super-sensitive DSC
• 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
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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