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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1218.08; 1346.13]	J/mol×K	[813.59; 999.68]
Cp,gas	1218.08	J/mol×K	813.59	Joback Calculated Property
Cp,gas	1242.58	J/mol×K	844.61	Joback Calculated Property
Cp,gas	1265.75	J/mol×K	875.62	Joback Calculated Property
Cp,gas	1287.63	J/mol×K	906.64	Joback Calculated Property
Cp,gas	1308.29	J/mol×K	937.65	Joback Calculated Property
Cp,gas	1327.77	J/mol×K	968.67	Joback Calculated Property
Cp,gas	1346.13	J/mol×K	999.68	Joback Calculated Property
η	[0.0000417; 0.0027649]	Pa×s	[375.16; 813.59]
η	0.0027649	Pa×s	375.16	Joback Calculated Property
η	0.0007771	Pa×s	448.23	Joback Calculated Property
η	0.0003118	Pa×s	521.30	Joback Calculated Property
η	0.0001566	Pa×s	594.38	Joback Calculated Property
η	0.0000914	Pa×s	667.45	Joback Calculated Property
η	0.0000594	Pa×s	740.52	Joback Calculated Property
η	0.0000417	Pa×s	813.59	Joback Calculated Property
ΔvapH	94.00	kJ/mol	511.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[521.72; 723.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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