Chemical Properties of 1,2-Bis(4-butyrylphenyl)ethane

InChI

InChI=1S/C22H26O2/c1-3-5-21(23)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22(24)6-4-2/h9-16H,3-8H2,1-2H3

InChI Key

LFSJWEZPAHCXES-UHFFFAOYSA-N

Formula

C22H26O2

SMILES

CCCC(=O)c1ccc(CCc2ccc(C(=O)CCC)cc2)cc1

Molecular Weight¹

322.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[364.62; 889.24]	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			-4.16040e+01
Coefficient B			1.76104e+00
Coefficient C			-1.06392e-03
Coefficient D			2.33720e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.62	J/mol×K	273.00	Calculated Property
Cp,gas	458.60	J/mol×K	353.78	Calculated Property
Cp,gas	541.94	J/mol×K	434.56	Calculated Property
Cp,gas	615.36	J/mol×K	515.33	Calculated Property
Cp,gas	679.62	J/mol×K	596.11	Calculated Property
Cp,gas	735.44	J/mol×K	676.89	Calculated Property
Cp,gas	783.58	J/mol×K	757.67	Calculated Property
Cp,gas	824.76	J/mol×K	838.44	Calculated Property
Cp,gas	859.74	J/mol×K	919.22	Calculated Property
Cp,gas	889.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007327; 0.0001198]	Pa×s	[515.44; 768.02]	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			-1.27261e+01
Coefficient B			2.83866e+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.			515.44
Temperature range, max.			768.02
η	0.0007327	Pa×s	515.44	Calculated Property
η	0.0005513	Pa×s	543.50	Calculated Property
η	0.0004266	Pa×s	571.57	Calculated Property
η	0.0003381	Pa×s	599.63	Calculated Property
η	0.0002736	Pa×s	627.70	Calculated Property
η	0.0002255	Pa×s	655.76	Calculated Property
η	0.0001888	Pa×s	683.83	Calculated Property
η	0.0001603	Pa×s	711.89	Calculated Property
η	0.0001378	Pa×s	739.95	Calculated Property
η	0.0001198	Pa×s	768.02	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Bis(4-butyrylphenyl)ethane.

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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