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

• 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).
• 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
ΔfG°	370.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1075.33	kJ/mol	Joback Calculated Property
ΔfusH°	125.26	kJ/mol	Joback Calculated Property
ΔvapH°	252.50 ± 0.20	kJ/mol	NIST
log10WS	-20.75		Crippen 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	1343.40	K	Joback Calculated Property
Tc	2196.22	K	Joback Calculated Property
Tfus	[365.30; 366.20]	K
Tfus	365.30 ± 2.00	K	NIST
Tfus	365.30 ± 1.50	K	NIST
Tfus	366.20 ± 3.00	K	NIST
Vc	2.836	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2893.25; 3577.43]	J/mol×K	[1343.40; 2196.22]
T(K) Ideal gas heat capacity (J/mol×K) 2900 3000 3100 3200 3300 3400 3500 3600 1500 2000
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
η	[0.0000009; 0.0000475]	Pa×s	[653.26; 1343.40]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-5 2.00e-5 3.00e-5 4.00e-5 5.00e-5 800 1000 1200
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	kJ/mol	727.50	NIST

Similar Compounds

Find more compounds similar to pentacontane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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