Chemical Properties of 4-(Octylphenyl-3,6-dimethyl-1-cyclohexenyl ether

InChI

InChI=1S/C22H34O/c1-4-5-6-7-8-9-10-20-13-15-21(16-14-20)23-22-17-18(2)11-12-19(22)3/h13-19H,4-12H2,1-3H3

InChI Key

TZNILEPZUINWMZ-UHFFFAOYSA-N

Formula

C22H34O

SMILES

CCCCCCCCc1ccc(OC2=CC(C)CCC2C)cc1

Molecular Weight¹

314.50

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.11; 1008.66]	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			-4.88030e+01
Coefficient B			1.87236e+00
Coefficient C			-9.72000e-04
Coefficient D			1.57100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.11	J/mol×K	273.00	Calculated Property
Cp,gas	498.90	J/mol×K	353.78	Calculated Property
Cp,gas	594.18	J/mol×K	434.56	Calculated Property
Cp,gas	679.45	J/mol×K	515.33	Calculated Property
Cp,gas	755.21	J/mol×K	596.11	Calculated Property
Cp,gas	821.95	J/mol×K	676.89	Calculated Property
Cp,gas	880.17	J/mol×K	757.67	Calculated Property
Cp,gas	930.36	J/mol×K	838.44	Calculated Property
Cp,gas	973.02	J/mol×K	919.22	Calculated Property
Cp,gas	1008.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009883; 0.0001196]	Pa×s	[415.29; 687.38]	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			-1.22550e+01
Coefficient B			2.21577e+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.			415.29
Temperature range, max.			687.38
η	0.0009883	Pa×s	415.29	Calculated Property
η	0.0006881	Pa×s	445.52	Calculated Property
η	0.0005017	Pa×s	475.76	Calculated Property
η	0.0003798	Pa×s	505.99	Calculated Property
η	0.0002967	Pa×s	536.22	Calculated Property
η	0.0002380	Pa×s	566.45	Calculated Property
η	0.0001952	Pa×s	596.69	Calculated Property
η	0.0001632	Pa×s	626.92	Calculated Property
η	0.0001387	Pa×s	657.15	Calculated Property
η	0.0001196	Pa×s	687.38	Calculated Property

Similar Compounds

Find more compounds similar to 4-(Octylphenyl-3,6-dimethyl-1-cyclohexenyl ether.

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

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