Chemical Properties of Eicosane, 2-cyclohexyl- (CAS 4443-56-5)

InChI

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

InChI Key

JKGLILLLSMITKV-UHFFFAOYSA-N

Formula

C26H52

SMILES

CCCCCCCCCCCCCCCCCCC(C)C1CCCCC1

Molecular Weight¹

364.70

CAS

4443-56-5

Other Names

• 2-Cyclohexyleicosane
• Cyclohexane, (1-methylnonadecyl)-

• 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).
• 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	0.9170		Relay (1.0) Calculated Property
ΔfG°	190.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-531.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.41	kJ/mol	Joback Calculated Property
ΔvapH°	125.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-9.80		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	643.60	K	Relay (1.0) Calculated Property
Tc	833.16	K	Relay (1.0) Calculated Property
Tfus	[286.25; 286.30]	K
Tfus	286.25 ± 0.50	K	NIST
Tfus	286.30 ± 0.50	K	NIST
Vc	1.394	m3/kmol	Relay (1.0) Calculated Property

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	[0.0310075; 0.0000747]	Pa×s	[286.27; 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.			286.27
Temperature range, max.			699.78
η	0.0310075	Pa×s	286.27	Calculated Property
η	0.0075630	Pa×s	332.22	Calculated Property
η	0.0025991	Pa×s	378.16	Calculated Property
η	0.0011258	Pa×s	424.11	Calculated Property
η	0.0005743	Pa×s	470.05	Calculated Property
η	0.0003302	Pa×s	516.00	Calculated Property
η	0.0002079	Pa×s	561.94	Calculated Property
η	0.0001404	Pa×s	607.89	Calculated Property
η	0.0001001	Pa×s	653.83	Calculated Property
η	0.0000747	Pa×s	699.78	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[526.80; 721.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54236e+01
Coefficient B			-5.93577e+03
Coefficient C			-1.34638e+02
Temperature range, min.			526.80
Temperature range, max.			721.63
Pvap	1.33	kPa	526.80	Calculated Property
Pvap	2.94	kPa	548.45	Calculated Property
Pvap	6.00	kPa	570.10	Calculated Property
Pvap	11.45	kPa	591.74	Calculated Property
Pvap	20.60	kPa	613.39	Calculated Property
Pvap	35.22	kPa	635.04	Calculated Property
Pvap	57.60	kPa	656.69	Calculated Property
Pvap	90.58	kPa	678.33	Calculated Property
Pvap	137.58	kPa	699.98	Calculated Property
Pvap	202.64	kPa	721.63	Calculated Property

Similar Compounds

Find more compounds similar to Eicosane, 2-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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