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	914.97	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	2.848	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2893.39; 3577.87]	J/mol×K	[1343.60; 2196.55]
Cp,gas	2893.39	J/mol×K	1343.60	Joback Calculated Property
Cp,gas	2983.43	J/mol×K	1485.76	Joback Calculated Property
Cp,gas	3069.67	J/mol×K	1627.92	Joback Calculated Property
Cp,gas	3162.17	J/mol×K	1770.07	Joback Calculated Property
Cp,gas	3270.99	J/mol×K	1912.23	Joback Calculated Property
Cp,gas	3406.21	J/mol×K	2054.39	Joback Calculated Property
Cp,gas	3577.87	J/mol×K	2196.55	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; 1343.60]
η	0.0000475	Pa×s	653.26	Joback Calculated Property
η	0.0000150	Pa×s	768.32	Joback Calculated Property
η	0.0000064	Pa×s	883.37	Joback Calculated Property
η	0.0000033	Pa×s	998.43	Joback Calculated Property
η	0.0000020	Pa×s	1113.49	Joback Calculated Property
η	0.0000013	Pa×s	1228.54	Joback Calculated Property
η	0.0000009	Pa×s	1343.60	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

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.