Chemical Properties of Cyclopentane, hexadecyl- (CAS 6812-39-1)

InChI

InChI=1S/C21H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-21/h21H,2-20H2,1H3

InChI Key

YUMSFAHUVUYTKV-UHFFFAOYSA-N

Formula

C21H42

SMILES

CCCCCCCCCCCCCCCCC1CCCC1

Molecular Weight¹

294.57

CAS

6812-39-1

Other Names

• HEXADECYLCYCLOPENTANE
• n-Hexadecylcyclopentane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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	0.8607		Passut and Danner (1973), critical constants and acentric factors Compiled value
ΔcH°liquid	-13850.80 ± 3.30	kJ/mol	NIST
ΔfG°	162.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.60 ± 3.60	kJ/mol	NIST
ΔfusH°	44.08	kJ/mol	Joback Calculated Property
ΔvapH°	105.30	kJ/mol	NIST
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-8.73		Relay (1.0) Calculated Property
logPoct/wat	8.048		Crippen Calculated Property
McVol	295.890	ml/mol	McGowan Calculated Property
Pc	972.16	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Inp	[2162.00; 2175.90]
Inp	2162.00		NIST
Inp	2175.90		NIST
Inp	2167.40		NIST
Inp	2162.00		NIST
Ip	[2184.40; 2184.40]
Ip	2184.40		NIST
Ip	2184.40		NIST
Tboil	609.67	K	Relay (1.0) Calculated Property
Tc	790.65	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tfus	[292.70; 292.70]	K
Tfus	292.70 ± 1.00	K	NIST
Tfus	292.70 ± 1.00	K	NIST
Vc	1.151	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.74; 1086.04]	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			-7.66850e+01
Coefficient B			2.13052e+00
Coefficient C			-1.24600e-03
Coefficient D			2.78200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.74	J/mol×K	273.00	Calculated Property
Cp,gas	533.42	J/mol×K	353.78	Calculated Property
Cp,gas	636.68	J/mol×K	434.56	Calculated Property
Cp,gas	728.42	J/mol×K	515.33	Calculated Property
Cp,gas	809.51	J/mol×K	596.11	Calculated Property
Cp,gas	880.83	J/mol×K	676.89	Calculated Property
Cp,gas	943.26	J/mol×K	757.67	Calculated Property
Cp,gas	997.69	J/mol×K	838.44	Calculated Property
Cp,gas	1044.99	J/mol×K	919.22	Calculated Property
Cp,gas	1086.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095644; 0.0002777]	Pa×s	[292.70; 553.45]	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			-1.21615e+01
Coefficient B			2.19870e+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.			292.70
Temperature range, max.			553.45
η	0.0095644	Pa×s	292.70	Calculated Property
η	0.0048621	Pa×s	321.67	Calculated Property
η	0.0027640	Pa×s	350.65	Calculated Property
η	0.0017128	Pa×s	379.62	Calculated Property
η	0.0011359	Pa×s	408.59	Calculated Property
η	0.0007954	Pa×s	437.56	Calculated Property
η	0.0005822	Pa×s	466.54	Calculated Property
η	0.0004420	Pa×s	495.51	Calculated Property
η	0.0003459	Pa×s	524.48	Calculated Property
η	0.0002777	Pa×s	553.45	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, hexadecyl-.

Sources

• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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