Chemical Properties of 2,2 Bis(p-allyloxy phenyl) butane (CAS 116346-12-4)

InChI

InChI=1S/C22H26O2/c1-5-16-23-20-12-8-18(9-13-20)22(4,7-3)19-10-14-21(15-11-19)24-17-6-2/h5-6,8-15H,1-2,7,16-17H2,3-4H3

InChI Key

UASXNVYMDZGKGU-UHFFFAOYSA-N

Formula

C22H26O2

SMILES

C=CCOc1ccc(C(C)(CC)c2ccc(OCC=C)cc2)cc1

Molecular Weight¹

322.44

CAS

116346-12-4

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.50; 892.64]	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			-3.57770e+01
Coefficient B			1.77644e+00
Coefficient C			-1.09692e-03
Coefficient D			2.48900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.50	J/mol×K	273.00	Calculated Property
Cp,gas	466.42	J/mol×K	353.78	Calculated Property
Cp,gas	549.47	J/mol×K	434.56	Calculated Property
Cp,gas	622.44	J/mol×K	515.33	Calculated Property
Cp,gas	686.11	J/mol×K	596.11	Calculated Property
Cp,gas	741.28	J/mol×K	676.89	Calculated Property
Cp,gas	788.73	J/mol×K	757.67	Calculated Property
Cp,gas	829.25	J/mol×K	838.44	Calculated Property
Cp,gas	863.63	J/mol×K	919.22	Calculated Property
Cp,gas	892.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005149; 0.0000619]	Pa×s	[458.94; 717.07]	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			-1.34561e+01
Coefficient B			2.70068e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			458.94
Temperature range, max.			717.07
η	0.0005149	Pa×s	458.94	Calculated Property
η	0.0003643	Pa×s	487.62	Calculated Property
η	0.0002678	Pa×s	516.30	Calculated Property
η	0.0002034	Pa×s	544.98	Calculated Property
η	0.0001587	Pa×s	573.67	Calculated Property
η	0.0001269	Pa×s	602.35	Calculated Property
η	0.0001035	Pa×s	631.03	Calculated Property
η	0.0000859	Pa×s	659.71	Calculated Property
η	0.0000724	Pa×s	688.39	Calculated Property
η	0.0000619	Pa×s	717.07	Calculated Property

Similar Compounds

Find more compounds similar to 2,2 Bis(p-allyloxy phenyl) butane.

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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