Chemical Properties of Eicosane, 3-cyclohexyl- (CAS 4443-57-6)

InChI

InChI=1S/C26H52/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25(4-2)26-23-20-18-21-24-26/h25-26H,3-24H2,1-2H3

InChI Key

PANSPXWYXYRKGU-UHFFFAOYSA-N

Formula

C26H52

SMILES

CCCCCCCCCCCCCCCCCC(CC)C1CCCCC1

Molecular Weight¹

364.70

CAS

4443-57-6

Other Names

• 3-Cyclohexyleicosane

• 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_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor 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	0.9128		Relay (1.0) Calculated Property
ΔcH°liquid	-16996.70 ± 6.70	kJ/mol	NIST
ΔfG°	190.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-514.76	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-666.20 ± 6.70	kJ/mol	NIST
ΔfusH°	51.41	kJ/mol	Joback Calculated Property
ΔvapH°	124.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
logPoct/wat	9.854		Crippen Calculated Property
McVol	366.340	ml/mol	McGowan Calculated Property
Pc	815.86	kPa	Joback Calculated Property
Tboil	645.46	K	Relay (1.0) Calculated Property
Tc	833.92	K	Relay (1.0) Calculated Property
Tfus	[295.85; 295.90]	K
Tfus	295.85 ± 0.50	K	NIST
Tfus	295.90 ± 0.50	K	NIST
Vc	1.384	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.61; 1346.31]	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			-8.80330e+01
Coefficient B			2.60184e+00
Coefficient C			-1.47480e-03
Coefficient D			3.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	518.61	J/mol×K	273.00	Calculated Property
Cp,gas	661.46	J/mol×K	353.78	Calculated Property
Cp,gas	789.33	J/mol×K	434.56	Calculated Property
Cp,gas	903.18	J/mol×K	515.33	Calculated Property
Cp,gas	1003.98	J/mol×K	596.11	Calculated Property
Cp,gas	1092.71	J/mol×K	676.89	Calculated Property
Cp,gas	1170.33	J/mol×K	757.67	Calculated Property
Cp,gas	1237.82	J/mol×K	838.44	Calculated Property
Cp,gas	1296.16	J/mol×K	919.22	Calculated Property
Cp,gas	1346.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0222691; 0.0000747]	Pa×s	[295.88; 699.78]	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			-1.36759e+01
Coefficient B			2.92069e+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.			295.88
Temperature range, max.			699.78
η	0.0222691	Pa×s	295.88	Calculated Property
η	0.0060685	Pa×s	340.75	Calculated Property
η	0.0022381	Pa×s	385.63	Calculated Property
η	0.0010162	Pa×s	430.51	Calculated Property
η	0.0005356	Pa×s	475.39	Calculated Property
η	0.0003153	Pa×s	520.27	Calculated Property
η	0.0002019	Pa×s	565.14	Calculated Property
η	0.0001380	Pa×s	610.02	Calculated Property
η	0.0000994	Pa×s	654.90	Calculated Property
η	0.0000747	Pa×s	699.78	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[521.72; 723.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49969e+01
Coefficient B			-5.71965e+03
Coefficient C			-1.32873e+02
Temperature range, min.			521.72
Temperature range, max.			723.42
Pvap	1.33	kPa	521.72	Calculated Property
Pvap	2.97	kPa	544.13	Calculated Property
Pvap	6.10	kPa	566.54	Calculated Property
Pvap	11.66	kPa	588.95	Calculated Property
Pvap	20.98	kPa	611.36	Calculated Property
Pvap	35.81	kPa	633.78	Calculated Property
Pvap	58.39	kPa	656.19	Calculated Property
Pvap	91.47	kPa	678.60	Calculated Property
Pvap	138.30	kPa	701.01	Calculated Property
Pvap	202.66	kPa	723.42	Calculated Property

Similar Compounds

Find more compounds similar to Eicosane, 3-cyclohexyl-.

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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