Chemical Properties of 3-Allyl-4-hydroxyacetophenone

InChI

InChI=1S/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3

InChI Key

XVTCWUFLNLZPEJ-UHFFFAOYSA-N

Formula

C11H12O2

SMILES

C=CCc1cc(C(C)=O)ccc1O

Molecular Weight¹

176.22

Other Names

• Ethanone, 1-(4-hydroxy-3-(2-propenyl)phenyl)-
• 3'-Allyl-4'-hydroxyacetophenone
• 3-Allyl-4-hydroxy-acetophenon
• 3-Allyl-4-hydroxy-acetophenone

• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[192.13; 448.19]	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			-3.12690e+01
Coefficient B			1.01702e+00
Coefficient C			-7.99320e-04
Coefficient D			2.61760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.13	J/mol×K	273.00	Calculated Property
Cp,gas	240.08	J/mol×K	353.78	Calculated Property
Cp,gas	281.22	J/mol×K	434.56	Calculated Property
Cp,gas	316.38	J/mol×K	515.33	Calculated Property
Cp,gas	346.40	J/mol×K	596.11	Calculated Property
Cp,gas	372.09	J/mol×K	676.89	Calculated Property
Cp,gas	394.29	J/mol×K	757.67	Calculated Property
Cp,gas	413.82	J/mol×K	838.44	Calculated Property
Cp,gas	431.51	J/mol×K	919.22	Calculated Property
Cp,gas	448.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008992; 0.0000482]	Pa×s	[412.56; 589.43]	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			-1.67633e+01
Coefficient B			4.02217e+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.			412.56
Temperature range, max.			589.43
η	0.0008992	Pa×s	412.56	Calculated Property
η	0.0005772	Pa×s	432.21	Calculated Property
η	0.0003851	Pa×s	451.86	Calculated Property
η	0.0002657	Pa×s	471.52	Calculated Property
η	0.0001889	Pa×s	491.17	Calculated Property
η	0.0001378	Pa×s	510.82	Calculated Property
η	0.0001030	Pa×s	530.47	Calculated Property
η	0.0000785	Pa×s	550.13	Calculated Property
η	0.0000610	Pa×s	569.78	Calculated Property
η	0.0000482	Pa×s	589.43	Calculated Property

Similar Compounds

Find more compounds similar to 3-Allyl-4-hydroxyacetophenone.

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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