Chemical Properties of pentacontane (CAS 6596-40-3)

InChI

InChI=1S/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3

InChI Key

PFLUOWJPZLHUEA-UHFFFAOYSA-N

Formula

C50H102

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

703.34

CAS

6596-40-3

• 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).
• 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	1.9193		Relay (1.0) Calculated Property
ΔfG°	370.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1079.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	125.26	kJ/mol	Joback Calculated Property
ΔvapH°	252.50 ± 0.20	kJ/mol	NIST
IE	10.99	eV	Relay (1.0) Calculated Property
log10WS	-16.83		Relay (1.0) Calculated Property
logPoct/wat	19.751		Crippen Calculated Property
McVol	715.360	ml/mol	McGowan Calculated Property
Pc	276.12	kPa	Joback Calculated Property
Tboil	759.39	K	Relay (1.0) Calculated Property
Tc	913.51	K	Relay (1.0) Calculated Property
Tfus	[364.95; 366.20]	K
Tfus	364.95	K	Solid-liquid equilibria of indole binary systems
Tfus	365.30 ± 2.00	K	NIST
Tfus	365.30 ± 1.50	K	NIST
Tfus	366.20 ± 3.00	K	NIST
Vc	2.847	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2893.25; 3577.43]	J/mol×K	[1343.40; 2196.22]
Cp,gas	2893.25	J/mol×K	1343.40	Joback Calculated Property
Cp,gas	2983.29	J/mol×K	1485.54	Joback Calculated Property
Cp,gas	3069.52	J/mol×K	1627.67	Joback Calculated Property
Cp,gas	3161.98	J/mol×K	1769.81	Joback Calculated Property
Cp,gas	3270.75	J/mol×K	1911.95	Joback Calculated Property
Cp,gas	3405.88	J/mol×K	2054.08	Joback Calculated Property
Cp,gas	3577.43	J/mol×K	2196.22	Joback Calculated Property
Cp,liquid	[1720.00; 1912.00]	J/mol×K	[370.00; 470.00]
Cp,liquid	1720.00	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	1739.00	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	1758.00	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	1777.00	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	1797.00	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	1816.00	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	1835.00	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	1855.00	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	1874.00	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
Cp,liquid	1893.00	J/mol×K	460.00	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	1912.00	J/mol×K	470.00	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	[0.0000009; 0.0000475]	Pa×s	[653.26; 1343.40]
η	0.0000475	Pa×s	653.26	Joback Calculated Property
η	0.0000151	Pa×s	768.28	Joback Calculated Property
η	0.0000064	Pa×s	883.31	Joback Calculated Property
η	0.0000033	Pa×s	998.33	Joback Calculated Property
η	0.0000020	Pa×s	1113.35	Joback Calculated Property
η	0.0000013	Pa×s	1228.38	Joback Calculated Property
η	0.0000009	Pa×s	1343.40	Joback Calculated Property
ΔfusH	[185.00; 185.00]	kJ/mol	[366.90; 366.90]
ΔfusH	185.00	kJ/mol	366.90	NIST
ΔfusH	185.00	kJ/mol	366.90	NIST
ΔvapH	[149.00; 252.50]	kJ/mol	[298.15; 727.50]
ΔvapH	252.50	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	149.00	kJ/mol	727.50	NIST

Similar Compounds

Find more compounds similar to pentacontane.

Mixtures

• 1H-INDOLE + pentacontane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid-liquid equilibria of indole binary systems
• 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
• 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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