Chemical Properties of 1-(4-Hydroxybenzylidene)acetone (CAS 3160-35-8)

InChI

InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+

InChI Key

OCNIKEFATSKIBE-NSCUHMNNSA-N

Formula

C10H10O2

SMILES

CC(=O)C=Cc1ccc(O)cc1

Molecular Weight¹

162.19

CAS

3160-35-8

Other Names

• p-Hydroxybenzalacetone
• 4-(p-Hydroxyphenyl)-3-buten-2-one
• 4-Hydroxybenzylidene acetone
• 3-Buten-2-one, 4-(4-hydroxyphenyl)-
• p-Hydroxybenzylidene acetone
• 3-Buten-2-one, 4-(p-hydroxyphenyl)-
• 4-Hydroxybenzalacetone
• 4-(4-Hydroxyphenyl)-3-buten-2-one
• NSC 26516
• 4-(4-hydroxyphenyl)but-3-en-2-one

• 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).
• 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 vaporization 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	[164.17; 397.57]	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			-5.58500e+01
Coefficient B			1.02152e+00
Coefficient C			-8.72860e-04
Coefficient D			3.04760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.17	J/mol×K	273.00	Calculated Property
Cp,gas	209.79	J/mol×K	353.78	Calculated Property
Cp,gas	248.24	J/mol×K	434.56	Calculated Property
Cp,gas	280.48	J/mol×K	515.33	Calculated Property
Cp,gas	307.48	J/mol×K	596.11	Calculated Property
Cp,gas	330.20	J/mol×K	676.89	Calculated Property
Cp,gas	349.60	J/mol×K	757.67	Calculated Property
Cp,gas	366.66	J/mol×K	838.44	Calculated Property
Cp,gas	382.33	J/mol×K	919.22	Calculated Property
Cp,gas	397.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014544; 0.0000433]	Pa×s	[385.45; 581.34]	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			-1.69642e+01
Coefficient B			4.02067e+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.			385.45
Temperature range, max.			581.34
η	0.0014544	Pa×s	385.45	Calculated Property
η	0.0008328	Pa×s	407.22	Calculated Property
η	0.0005047	Pa×s	428.98	Calculated Property
η	0.0003209	Pa×s	450.75	Calculated Property
η	0.0002128	Pa×s	472.51	Calculated Property
η	0.0001463	Pa×s	494.28	Calculated Property
η	0.0001038	Pa×s	516.04	Calculated Property
η	0.0000757	Pa×s	537.81	Calculated Property
η	0.0000566	Pa×s	559.58	Calculated Property
η	0.0000433	Pa×s	581.34	Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Hydroxybenzylidene)acetone.

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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