Chemical Properties of Benzene, [3-(2-cyclohexylethyl)-6-cyclopentylhexyl]- (CAS 55334-30-0)

InChI

InChI=1S/C25H40/c1-3-10-23(11-4-1)18-20-25(17-9-16-22-14-7-8-15-22)21-19-24-12-5-2-6-13-24/h1,3-4,10-11,22,24-25H,2,5-9,12-21H2

InChI Key

DQHMQFJGANEDIX-UHFFFAOYSA-N

Formula

C25H40

SMILES

c1ccc(CCC(CCCC2CCCC2)CCC2CCCCC2)cc1

Molecular Weight¹

340.59

CAS

55334-30-0

Other Names

• 1-Cyclohexyl-6-cyclopentyl-3-phenethylhexane
• 1-Phenyl-3-(2'-cyclohexylethyl)-6-cyclopentylhexane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.91; 1159.49]	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			-1.81513e+02
Coefficient B			2.55960e+00
Coefficient C			-1.57900e-03
Coefficient D			3.60400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	406.91	J/mol×K	273.00	Calculated Property
Cp,gas	542.35	J/mol×K	353.78	Calculated Property
Cp,gas	662.17	J/mol×K	434.56	Calculated Property
Cp,gas	767.52	J/mol×K	515.33	Calculated Property
Cp,gas	859.54	J/mol×K	596.11	Calculated Property
Cp,gas	939.36	J/mol×K	676.89	Calculated Property
Cp,gas	1008.13	J/mol×K	757.67	Calculated Property
Cp,gas	1066.98	J/mol×K	838.44	Calculated Property
Cp,gas	1117.05	J/mol×K	919.22	Calculated Property
Cp,gas	1159.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026083; 0.0001116]	Pa×s	[401.21; 737.92]	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			-1.28553e+01
Coefficient B			2.77085e+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.			401.21
Temperature range, max.			737.92
η	0.0026083	Pa×s	401.21	Calculated Property
η	0.0014472	Pa×s	438.62	Calculated Property
η	0.0008809	Pa×s	476.04	Calculated Property
η	0.0005764	Pa×s	513.45	Calculated Property
η	0.0003995	Pa×s	550.86	Calculated Property
η	0.0002901	Pa×s	588.27	Calculated Property
η	0.0002189	Pa×s	625.69	Calculated Property
η	0.0001705	Pa×s	663.10	Calculated Property
η	0.0001364	Pa×s	700.51	Calculated Property
η	0.0001116	Pa×s	737.92	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[525.14; 719.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.88897e+01
Coefficient B			-9.76874e+03
Coefficient C			0.00000e+00
Temperature range, min.			525.14
Temperature range, max.			719.44
Pvap	1.33	kPa	525.14	Calculated Property
Pvap	2.78	kPa	546.73	Calculated Property
Pvap	5.48	kPa	568.32	Calculated Property
Pvap	10.28	kPa	589.91	Calculated Property
Pvap	18.44	kPa	611.50	Calculated Property
Pvap	31.80	kPa	633.08	Calculated Property
Pvap	52.89	kPa	654.67	Calculated Property
Pvap	85.16	kPa	676.26	Calculated Property
Pvap	133.14	kPa	697.85	Calculated Property
Pvap	202.65	kPa	719.44	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, [3-(2-cyclohexylethyl)-6-cyclopentylhexyl]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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