Chemical Properties of Alpha-p-n-butyl-benzhydryl-acetophenone (CAS 116400-85-2)

InChI

InChI=1S/C25H26O/c1-2-3-10-20-15-17-22(18-16-20)24(21-11-6-4-7-12-21)19-25(26)23-13-8-5-9-14-23/h4-9,11-18,24H,2-3,10,19H2,1H3

InChI Key

SPFSVEKWCKWVLI-UHFFFAOYSA-N

Formula

C25H26O

SMILES

CCCCc1ccc(C(CC(=O)c2ccccc2)c2ccccc2)cc1

Molecular Weight¹

342.47

CAS

116400-85-2

• 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).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.22; 940.04]	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			-1.01576e+02
Coefficient B			2.06052e+00
Coefficient C			-1.34726e-03
Coefficient D			3.28360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.22	J/mol×K	273.00	Calculated Property
Cp,gas	473.31	J/mol×K	353.78	Calculated Property
Cp,gas	566.37	J/mol×K	434.56	Calculated Property
Cp,gas	647.43	J/mol×K	515.33	Calculated Property
Cp,gas	717.53	J/mol×K	596.11	Calculated Property
Cp,gas	777.72	J/mol×K	676.89	Calculated Property
Cp,gas	829.02	J/mol×K	757.67	Calculated Property
Cp,gas	872.49	J/mol×K	838.44	Calculated Property
Cp,gas	909.15	J/mol×K	919.22	Calculated Property
Cp,gas	940.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007410; 0.0000741]	Pa×s	[498.22; 807.28]	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			-1.32238e+01
Coefficient B			2.99745e+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.			498.22
Temperature range, max.			807.28
η	0.0007410	Pa×s	498.22	Calculated Property
η	0.0005028	Pa×s	532.56	Calculated Property
η	0.0003575	Pa×s	566.90	Calculated Property
η	0.0002643	Pa×s	601.24	Calculated Property
η	0.0002019	Pa×s	635.58	Calculated Property
η	0.0001586	Pa×s	669.92	Calculated Property
η	0.0001275	Pa×s	704.26	Calculated Property
η	0.0001046	Pa×s	738.60	Calculated Property
η	0.0000873	Pa×s	772.94	Calculated Property
η	0.0000741	Pa×s	807.28	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-p-n-butyl-benzhydryl-acetophenone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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