Chemical Properties of 1,3-Diphenyl-2,4-pentanedione (CAS 19588-08-0)

InChI

InChI=1S/C17H16O2/c1-13(18)17(15-10-6-3-7-11-15)16(19)12-14-8-4-2-5-9-14/h2-11,17H,12H2,1H3

InChI Key

ZRPKYWOSTUYAPU-UHFFFAOYSA-N

Formula

C17H16O2

SMILES

CC(=O)C(C(=O)Cc1ccccc1)c1ccccc1

Molecular Weight¹

252.31

CAS

19588-08-0

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[253.14; 637.90]	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			-6.73390e+01
Coefficient B			1.41092e+00
Coefficient C			-9.29200e-04
Coefficient D			2.23520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.14	J/mol×K	273.00	Calculated Property
Cp,gas	325.41	J/mol×K	353.78	Calculated Property
Cp,gas	388.66	J/mol×K	434.56	Calculated Property
Cp,gas	443.58	J/mol×K	515.33	Calculated Property
Cp,gas	490.88	J/mol×K	596.11	Calculated Property
Cp,gas	531.28	J/mol×K	676.89	Calculated Property
Cp,gas	565.47	J/mol×K	757.67	Calculated Property
Cp,gas	594.17	J/mol×K	838.44	Calculated Property
Cp,gas	618.08	J/mol×K	919.22	Calculated Property
Cp,gas	637.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018128; 0.0001695]	Pa×s	[419.05; 693.68]	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			-1.22983e+01
Coefficient B			2.50820e+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.			419.05
Temperature range, max.			693.68
η	0.0018128	Pa×s	419.05	Calculated Property
η	0.0012076	Pa×s	449.56	Calculated Property
η	0.0008470	Pa×s	480.08	Calculated Property
η	0.0006199	Pa×s	510.59	Calculated Property
η	0.0004699	Pa×s	541.11	Calculated Property
η	0.0003669	Pa×s	571.62	Calculated Property
η	0.0002937	Pa×s	602.14	Calculated Property
η	0.0002403	Pa×s	632.65	Calculated Property
η	0.0002002	Pa×s	663.17	Calculated Property
η	0.0001695	Pa×s	693.68	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diphenyl-2,4-pentanedione.

Sources

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

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