Chemical Properties of Cyclopentane, octadecyl- (CAS 62016-53-9)

InChI

InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-23/h23H,2-22H2,1H3

InChI Key

BMGGVLNZZWZSDT-UHFFFAOYSA-N

Formula

C23H46

SMILES

CCCCCCCCCCCCCCCCCCC1CCCC1

Molecular Weight¹

322.61

CAS

62016-53-9

Other Names

• octadecylcyclopentane

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.8844		Relay (1.0) Calculated Property
ΔfG°	179.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.26	kJ/mol	Joback Calculated Property
ΔvapH°	117.16	kJ/mol	Relay (1.0) Calculated Property
IE	10.00	eV	Relay (1.0) Calculated Property
log10WS	-9.28		Relay (1.0) Calculated Property
logPoct/wat	8.828		Crippen Calculated Property
McVol	324.070	ml/mol	McGowan Calculated Property
Pc	949.08	kPa	Joback Calculated Property
Inp	[2363.00; 2386.00]
Inp	2363.00		NIST
Inp	2376.40		NIST
Inp	2368.10		NIST
Inp	2386.00		NIST
Inp	2363.00		NIST
Ip	2382.20		NIST
Tboil	622.85	K	Relay (1.0) Calculated Property
Tc	805.09	K	Relay (1.0) Calculated Property
Tfus	[296.00; 301.00]	K
Tfus	301.00 ± 1.50	K	NIST
Tfus	301.00 ± 2.00	K	NIST
Tfus	296.00 ± 8.00	K	NIST
Vc	1.265	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.17; 1189.22]	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			-7.85030e+01
Coefficient B			2.32052e+00
Coefficient C			-1.35480e-03
Coefficient D			3.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	460.17	J/mol×K	273.00	Calculated Property
Cp,gas	586.25	J/mol×K	353.78	Calculated Property
Cp,gas	698.84	J/mol×K	434.56	Calculated Property
Cp,gas	798.88	J/mol×K	515.33	Calculated Property
Cp,gas	887.33	J/mol×K	596.11	Calculated Property
Cp,gas	965.15	J/mol×K	676.89	Calculated Property
Cp,gas	1033.30	J/mol×K	757.67	Calculated Property
Cp,gas	1092.72	J/mol×K	838.44	Calculated Property
Cp,gas	1144.37	J/mol×K	919.22	Calculated Property
Cp,gas	1189.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0111751; 0.0001582]	Pa×s	[299.33; 642.22]	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			-1.24685e+01
Coefficient B			2.38702e+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.			299.33
Temperature range, max.			642.22
η	0.0111751	Pa×s	299.33	Calculated Property
η	0.0045418	Pa×s	337.43	Calculated Property
η	0.0022159	Pa×s	375.53	Calculated Property
η	0.0012339	Pa×s	413.63	Calculated Property
η	0.0007584	Pa×s	451.73	Calculated Property
η	0.0005028	Pa×s	489.82	Calculated Property
η	0.0003537	Pa×s	527.92	Calculated Property
η	0.0002609	Pa×s	566.02	Calculated Property
η	0.0002000	Pa×s	604.12	Calculated Property
η	0.0001582	Pa×s	642.22	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[504.22; 683.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59279e+01
Coefficient B			-5.92754e+03
Coefficient C			-1.25228e+02
Temperature range, min.			504.22
Temperature range, max.			683.57
Pvap	1.33	kPa	504.22	Calculated Property
Pvap	2.91	kPa	524.15	Calculated Property
Pvap	5.91	kPa	544.08	Calculated Property
Pvap	11.23	kPa	564.00	Calculated Property
Pvap	20.20	kPa	583.93	Calculated Property
Pvap	34.59	kPa	603.86	Calculated Property
Pvap	56.74	kPa	623.79	Calculated Property
Pvap	89.61	kPa	643.71	Calculated Property
Pvap	136.81	kPa	663.64	Calculated Property
Pvap	202.66	kPa	683.57	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, octadecyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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