Chemical Properties of Cyclohexane, (1-butylhexadecyl)- (CAS 4443-59-8)

InChI

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

InChI Key

MBXKQVDZISXAHH-UHFFFAOYSA-N

Formula

C26H52

SMILES

CCCCCCCCCCCCCCCC(CCCC)C1CCCCC1

Molecular Weight¹

364.70

CAS

4443-59-8

Other Names

• 5-Cyclohexyleicosane
• Eicosane, 5-cyclohexyl-

• 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	0.9069		Relay (1.0) Calculated Property
ΔfG°	190.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.41	kJ/mol	Joback Calculated Property
ΔvapH°	121.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-9.78		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	645.38	K	Relay (1.0) Calculated Property
Tc	832.81	K	Relay (1.0) Calculated Property
Tfus	[264.00; 270.95]	K
Tfus	270.95 ± 0.50	K	NIST
Tfus	264.00 ± 4.00	K	NIST
Tfus	264.00 ± 4.00	K	NIST
Vc	1.381	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	[0.0666075; 0.0000747]	Pa×s	[266.32; 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.			266.32
Temperature range, max.			699.78
η	0.0666075	Pa×s	266.32	Calculated Property
η	0.0124190	Pa×s	314.48	Calculated Property
η	0.0036174	Pa×s	362.64	Calculated Property
η	0.0014071	Pa×s	410.80	Calculated Property
η	0.0006673	Pa×s	458.97	Calculated Property
η	0.0003646	Pa×s	507.13	Calculated Property
η	0.0002213	Pa×s	555.29	Calculated Property
η	0.0001454	Pa×s	603.45	Calculated Property
η	0.0001017	Pa×s	651.62	Calculated Property
η	0.0000747	Pa×s	699.78	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[528.40; 721.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55638e+01
Coefficient B			-6.00670e+03
Coefficient C			-1.35194e+02
Temperature range, min.			528.40
Temperature range, max.			721.08
Pvap	1.33	kPa	528.40	Calculated Property
Pvap	2.93	kPa	549.81	Calculated Property
Pvap	5.98	kPa	571.22	Calculated Property
Pvap	11.39	kPa	592.63	Calculated Property
Pvap	20.48	kPa	614.04	Calculated Property
Pvap	35.04	kPa	635.44	Calculated Property
Pvap	57.35	kPa	656.85	Calculated Property
Pvap	90.30	kPa	678.26	Calculated Property
Pvap	137.36	kPa	699.67	Calculated Property
Pvap	202.65	kPa	721.08	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, (1-butylhexadecyl)-.

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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