Chemical Properties of Valeric acid, 2,2-diphenyl-

InChI

InChI=1S/C17H18O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,19)

InChI Key

IVYXLCYENQNVHM-UHFFFAOYSA-N

Formula

C17H18O2

SMILES

CCCC(C(=O)O)(c1ccccc1)c1ccccc1

Molecular Weight¹

254.33

Other Names

• 2,2-diphenylvaleric acid

• 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 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 formation 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	[263.76; 671.57]	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			-1.00248e+02
Coefficient B			1.63762e+00
Coefficient C			-1.20780e-03
Coefficient D			3.42000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.76	J/mol×K	273.00	Calculated Property
Cp,gas	343.08	J/mol×K	353.78	Calculated Property
Cp,gas	411.37	J/mol×K	434.56	Calculated Property
Cp,gas	469.72	J/mol×K	515.33	Calculated Property
Cp,gas	519.21	J/mol×K	596.11	Calculated Property
Cp,gas	560.92	J/mol×K	676.89	Calculated Property
Cp,gas	595.93	J/mol×K	757.67	Calculated Property
Cp,gas	625.32	J/mol×K	838.44	Calculated Property
Cp,gas	650.17	J/mol×K	919.22	Calculated Property
Cp,gas	671.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007181; 0.0001116]	Pa×s	[497.21; 720.43]	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			-1.32474e+01
Coefficient B			2.98748e+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.			497.21
Temperature range, max.			720.43
η	0.0007181	Pa×s	497.21	Calculated Property
η	0.0005398	Pa×s	522.01	Calculated Property
η	0.0004164	Pa×s	546.82	Calculated Property
η	0.0003285	Pa×s	571.62	Calculated Property
η	0.0002643	Pa×s	596.42	Calculated Property
η	0.0002164	Pa×s	621.22	Calculated Property
η	0.0001799	Pa×s	646.03	Calculated Property
η	0.0001516	Pa×s	670.83	Calculated Property
η	0.0001294	Pa×s	695.63	Calculated Property
η	0.0001116	Pa×s	720.43	Calculated Property

Similar Compounds

Find more compounds similar to Valeric acid, 2,2-diphenyl-.

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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