Chemical Properties of o-Acetoacetylphenol (CAS 16636-62-7)

InChI

InChI=1S/C10H10O3/c1-7(11)6-10(13)8-4-2-3-5-9(8)12/h2-5,12H,6H2,1H3

InChI Key

FAIACLOKYTYHSR-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

CC(=O)CC(=O)c1ccccc1O

Molecular Weight¹

178.18

CAS

16636-62-7

Other Names

• o-Hydroxybenzoylacetone

• 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_c : Critical 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 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	[179.10; 417.17]	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			-3.43090e+01
Coefficient B			9.73520e-01
Coefficient C			-7.70360e-04
Coefficient D			2.48320e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.10	J/mol×K	273.00	Calculated Property
Cp,gas	224.68	J/mol×K	353.78	Calculated Property
Cp,gas	263.64	J/mol×K	434.56	Calculated Property
Cp,gas	296.78	J/mol×K	515.33	Calculated Property
Cp,gas	324.87	J/mol×K	596.11	Calculated Property
Cp,gas	348.71	J/mol×K	676.89	Calculated Property
Cp,gas	369.07	J/mol×K	757.67	Calculated Property
Cp,gas	386.74	J/mol×K	838.44	Calculated Property
Cp,gas	402.52	J/mol×K	919.22	Calculated Property
Cp,gas	417.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007511; 0.0000480]	Pa×s	[440.46; 613.80]	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			-1.69352e+01
Coefficient B			4.29062e+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.			440.46
Temperature range, max.			613.80
η	0.0007511	Pa×s	440.46	Calculated Property
η	0.0004994	Pa×s	459.72	Calculated Property
η	0.0003432	Pa×s	478.98	Calculated Property
η	0.0002427	Pa×s	498.24	Calculated Property
η	0.0001762	Pa×s	517.50	Calculated Property
η	0.0001308	Pa×s	536.76	Calculated Property
η	0.0000992	Pa×s	556.02	Calculated Property
η	0.0000766	Pa×s	575.28	Calculated Property
η	0.0000602	Pa×s	594.54	Calculated Property
η	0.0000480	Pa×s	613.80	Calculated Property

Similar Compounds

Find more compounds similar to o-Acetoacetylphenol.

Sources

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

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