Chemical Properties of n-Pentadecylcyclopentane (CAS 4669-01-6)

InChI

InChI=1S/C20H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-20/h20H,2-19H2,1H3

InChI Key

HENJCAULAAJZLZ-UHFFFAOYSA-N

Formula

C20H40

SMILES

CCCCCCCCCCCCCCCC1CCCC1

Molecular Weight¹

280.54

CAS

4669-01-6

Other Names

• Pentadecylcyclopentane

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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	[0.8330; 0.8333]
ω	0.8333		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.8330		KDB
ΔfG°	154.00	kJ/mol	KDB
ΔfH°gas	-395.30	kJ/mol	KDB
ΔfusH°	41.49	kJ/mol	Joback Calculated Property
ΔvapH°	100.30	kJ/mol	NIST
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-8.46		Relay (1.0) Calculated Property
logPoct/wat	7.658		Crippen Calculated Property
McVol	281.800	ml/mol	McGowan Calculated Property
Pc	[1020.00; 1027.32]	kPa
Pc	1027.32	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	1020.00	kPa	KDB
Inp	2068.00		NIST
Tboil	625.00	K	KDB
Tc	[780.00; 780.37]	K
Tc	780.37	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	780.00	K	KDB
Tfus	290.00	K	KDB
Vc	1.094	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[57.66; 76.50]	kJ/mol	[573.50; 625.00]
ΔvapH	76.50	kJ/mol	573.50	NIST
ΔvapH	57.66	kJ/mol	625.00	KDB
ρl	821.00	kg/m3	293.00	KDB
γ	0.02	N/m	323.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.53; 1034.44]	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			-7.57760e+01
Coefficient B			2.03552e+00
Coefficient C			-1.19160e-03
Coefficient D			2.66300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.53	J/mol×K	273.00	Calculated Property
Cp,gas	507.00	J/mol×K	353.78	Calculated Property
Cp,gas	605.60	J/mol×K	434.56	Calculated Property
Cp,gas	693.19	J/mol×K	515.33	Calculated Property
Cp,gas	770.60	J/mol×K	596.11	Calculated Property
Cp,gas	838.67	J/mol×K	676.89	Calculated Property
Cp,gas	898.25	J/mol×K	757.67	Calculated Property
Cp,gas	950.17	J/mol×K	838.44	Calculated Property
Cp,gas	995.29	J/mol×K	919.22	Calculated Property
Cp,gas	1034.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086150; 0.0002865]	Pa×s	[290.00; 546.13]	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			-1.20113e+01
Coefficient B			2.10454e+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.			290.00
Temperature range, max.			546.13
η	0.0086150	Pa×s	290.00	Calculated Property
η	0.0045041	Pa×s	318.46	Calculated Property
η	0.0026192	Pa×s	346.92	Calculated Property
η	0.0016536	Pa×s	375.38	Calculated Property
η	0.0011139	Pa×s	403.84	Calculated Property
η	0.0007904	Pa×s	432.29	Calculated Property
η	0.0005851	Pa×s	460.75	Calculated Property
η	0.0004486	Pa×s	489.21	Calculated Property
η	0.0003541	Pa×s	517.67	Calculated Property
η	0.0002865	Pa×s	546.13	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[474.50; 643.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59948e+01
Coefficient B			-5.64829e+03
Coefficient C			-1.14900e+02
Temperature range, min.			474.50
Temperature range, max.			643.60
Pvap	1.33	kPa	474.50	Calculated Property
Pvap	2.91	kPa	493.29	Calculated Property
Pvap	5.89	kPa	512.08	Calculated Property
Pvap	11.20	kPa	530.87	Calculated Property
Pvap	20.14	kPa	549.66	Calculated Property
Pvap	34.50	kPa	568.44	Calculated Property
Pvap	56.63	kPa	587.23	Calculated Property
Pvap	89.48	kPa	606.02	Calculated Property
Pvap	136.69	kPa	624.81	Calculated Property
Pvap	202.63	kPa	643.60	Calculated Property

Similar Compounds

Find more compounds similar to n-Pentadecylcyclopentane.

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
• The Yaws Handbook of Vapor Pressure

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