Chemical Properties of 1,1'-Bicyclopentyl, 2-hexadecyl- (CAS 55334-11-7)

InChI

InChI=1S/C26H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22-18-23-26(25)24-20-16-17-21-24/h24-26H,2-23H2,1H3

InChI Key

ZENJJKDYBBKFAI-UHFFFAOYSA-N

Formula

C26H50

SMILES

CCCCCCCCCCCCCCCCC1CCCC1C1CCCC1

Molecular Weight¹

362.68

CAS

55334-11-7

Other Names

• 1-Cyclopentyl-2-n-hexadecylcyclopentane
• 2-Hexadecylbicyclopentyl

• 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).
• 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	0.8857		Relay (1.0) Calculated Property
ΔfG°	233.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.04	kJ/mol	Joback Calculated Property
ΔvapH°	125.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-9.73		Relay (1.0) Calculated Property
logPoct/wat	9.464		Crippen Calculated Property
McVol	355.480	ml/mol	McGowan Calculated Property
Pc	871.71	kPa	Joback Calculated Property
Tboil	655.44	K	Relay (1.0) Calculated Property
Tc	860.06	K	Relay (1.0) Calculated Property
Tfus	[291.90; 291.90]	K
Tfus	291.90 ± 2.00	K	NIST
Tfus	291.90 ± 0.50	K	NIST
Vc	1.347	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.85; 1333.94]	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			-1.35775e+02
Coefficient B			2.71072e+00
Coefficient C			-1.59000e-03
Coefficient D			3.49000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.85	J/mol×K	273.00	Calculated Property
Cp,gas	639.67	J/mol×K	353.78	Calculated Property
Cp,gas	770.57	J/mol×K	434.56	Calculated Property
Cp,gas	886.66	J/mol×K	515.33	Calculated Property
Cp,gas	989.04	J/mol×K	596.11	Calculated Property
Cp,gas	1078.81	J/mol×K	676.89	Calculated Property
Cp,gas	1157.09	J/mol×K	757.67	Calculated Property
Cp,gas	1224.97	J/mol×K	838.44	Calculated Property
Cp,gas	1283.55	J/mol×K	919.22	Calculated Property
Cp,gas	1333.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0211949; 0.0001931]	Pa×s	[291.90; 708.37]	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			-1.18455e+01
Coefficient B			2.33271e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.90
Temperature range, max.			708.37
η	0.0211949	Pa×s	291.90	Calculated Property
η	0.0071010	Pa×s	338.17	Calculated Property
η	0.0030955	Pa×s	384.45	Calculated Property
η	0.0016130	Pa×s	430.72	Calculated Property
η	0.0009538	Pa×s	477.00	Calculated Property
η	0.0006189	Pa×s	523.27	Calculated Property
η	0.0004309	Pa×s	569.55	Calculated Property
η	0.0003167	Pa×s	615.82	Calculated Property
η	0.0002430	Pa×s	662.10	Calculated Property
η	0.0001931	Pa×s	708.37	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Bicyclopentyl, 2-hexadecyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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