Chemical Properties of Tetratetracontane (CAS 7098-22-8)

InChI

InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3

InChI Key

KMXFZRSJMDYPPG-UHFFFAOYSA-N

Formula

C44H90

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

619.20

CAS

7098-22-8

Other Names

• n-tetratetracontane

• 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	1.7090		Relay (1.0) Calculated Property
ΔfG°	319.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-956.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	109.72	kJ/mol	Joback Calculated Property
ΔvapH°	223.70 ± 0.90	kJ/mol	NIST
IE	10.76	eV	Relay (1.0) Calculated Property
log10WS	-15.20		Relay (1.0) Calculated Property
logPoct/wat	17.410		Crippen Calculated Property
McVol	630.820	ml/mol	McGowan Calculated Property
Pc	337.66	kPa	Joback Calculated Property
Tboil	722.51	K	Relay (1.0) Calculated Property
Tc	919.00	K	Critical temperatures and pressures of C40, C44, and C60 normal alkanes measured by the pulse-heating technique
Tfus	[333.50; 359.60]	K
Tfus	359.15 ± 0.50	K	NIST
Tfus	359.60 ± 2.00	K	NIST
Tfus	338.50 ± 1.50	K	NIST
Tfus	333.50 ± 2.00	K	NIST
Tfus	359.60 ± 2.00	K	NIST
Vc	2.524	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2460.74; 2755.16]	J/mol×K	[1206.12; 1719.23]
Cp,gas	2460.74	J/mol×K	1206.12	Joback Calculated Property
Cp,gas	2517.45	J/mol×K	1291.64	Joback Calculated Property
Cp,gas	2568.54	J/mol×K	1377.16	Joback Calculated Property
Cp,gas	2615.94	J/mol×K	1462.68	Joback Calculated Property
Cp,gas	2661.56	J/mol×K	1548.19	Joback Calculated Property
Cp,gas	2707.32	J/mol×K	1633.71	Joback Calculated Property
Cp,gas	2755.16	J/mol×K	1719.23	Joback Calculated Property
Cp,liquid	[1517.00; 1622.00]	J/mol×K	[370.00; 430.00]
Cp,liquid	1517.00	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	1535.00	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	1552.00	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	1570.00	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	1587.00	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	1604.00	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	1622.00	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
η	[0.0000026; 0.0001278]	Pa×s	[585.64; 1206.12]
η	0.0001278	Pa×s	585.64	Joback Calculated Property
η	0.0000408	Pa×s	689.05	Joback Calculated Property
η	0.0000176	Pa×s	792.47	Joback Calculated Property
η	0.0000092	Pa×s	895.88	Joback Calculated Property
η	0.0000055	Pa×s	999.29	Joback Calculated Property
η	0.0000036	Pa×s	1102.71	Joback Calculated Property
η	0.0000026	Pa×s	1206.12	Joback Calculated Property
ΔfusH	[145.50; 145.50]	kJ/mol	[360.90; 360.90]
ΔfusH	145.50	kJ/mol	360.90	NIST
ΔfusH	145.50	kJ/mol	360.90	NIST
ΔvapH	[139.30; 223.70]	kJ/mol	[298.15; 699.00]
ΔvapH	223.70	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	146.00	kJ/mol	387.00	NIST
ΔvapH	139.30	kJ/mol	699.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[646.48; 879.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39224e+01
Coefficient B			-5.44883e+03
Coefficient C			-2.46850e+02
Temperature range, min.			646.48
Temperature range, max.			879.63
Pvap	1.33	kPa	646.48	Calculated Property
Pvap	3.06	kPa	672.39	Calculated Property
Pvap	6.38	kPa	698.29	Calculated Property
Pvap	12.28	kPa	724.20	Calculated Property
Pvap	22.09	kPa	750.10	Calculated Property
Pvap	37.53	kPa	776.01	Calculated Property
Pvap	60.69	kPa	801.91	Calculated Property
Pvap	94.03	kPa	827.82	Calculated Property
Pvap	140.32	kPa	853.72	Calculated Property
Pvap	202.65	kPa	879.63	Calculated Property

Similar Compounds

Find more compounds similar to Tetratetracontane.

Mixtures

• Toluene + Tetratetracontane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental solubility data of various n-alkane waxes: effects of alkane chain length, alkane odd versus even carbon number structures, and solvent chemistry on solubility
• 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
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.