Chemical Properties of 3',4'-Dihydroxybutyrophenone

InChI

InChI=1S/C10H12O3/c1-2-3-8(11)7-4-5-9(12)10(13)6-7/h4-6,12-13H,2-3H2,1H3

InChI Key

NLERVTXJOGYIKC-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CCCC(=O)c1ccc(O)c(O)c1

Molecular Weight¹

180.20

• 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).
• 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, 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	[195.06; 450.57]	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			-5.05880e+01
Coefficient B			1.15612e+00
Coefficient C			-1.04542e-03
Coefficient D			3.90460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.06	J/mol×K	273.00	Calculated Property
Cp,gas	244.87	J/mol×K	353.78	Calculated Property
Cp,gas	286.44	J/mol×K	434.56	Calculated Property
Cp,gas	321.01	J/mol×K	515.33	Calculated Property
Cp,gas	349.81	J/mol×K	596.11	Calculated Property
Cp,gas	374.08	J/mol×K	676.89	Calculated Property
Cp,gas	395.06	J/mol×K	757.67	Calculated Property
Cp,gas	413.98	J/mol×K	838.44	Calculated Property
Cp,gas	432.07	J/mol×K	919.22	Calculated Property
Cp,gas	450.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000813; 0.0000054]	Pa×s	[502.25; 633.94]	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			-2.24729e+01
Coefficient B			6.55721e+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.			502.25
Temperature range, max.			633.94
η	0.0000813	Pa×s	502.25	Calculated Property
η	0.0000562	Pa×s	516.88	Calculated Property
η	0.0000396	Pa×s	531.52	Calculated Property
η	0.0000285	Pa×s	546.15	Calculated Property
η	0.0000208	Pa×s	560.78	Calculated Property
η	0.0000155	Pa×s	575.41	Calculated Property
η	0.0000117	Pa×s	590.05	Calculated Property
η	0.0000089	Pa×s	604.68	Calculated Property
η	0.0000069	Pa×s	619.31	Calculated Property
η	0.0000054	Pa×s	633.94	Calculated Property

Similar Compounds

Find more compounds similar to 3',4'-Dihydroxybutyrophenone.

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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