Chemical Properties of Propiophenone, 4'-hydroxy-3'-methoxy

InChI

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

InChI Key

FBGXENQFSMMBNY-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CCC(=O)c1ccc(O)c(OC)c1

Molecular Weight¹

180.20

Other Names

• 1-(4-Hydroxy-3-methoxyphenyl)-1-propanone (propiovanillone)
• 1-(4-hydroxy-3-methoxyphenyl)propanone
• 1-(4-hydroxy-3-methoxyphenyl)propanone (propiovanillone)
• 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)
• Propioguaiacone

• 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).
• 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, 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	[196.13; 443.61]	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			-1.86900e+00
Coefficient B			8.78840e-01
Coefficient C			-6.11020e-04
Coefficient D			1.77660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.13	J/mol×K	273.00	Calculated Property
Cp,gas	240.44	J/mol×K	353.78	Calculated Property
Cp,gas	279.23	J/mol×K	434.56	Calculated Property
Cp,gas	313.07	J/mol×K	515.33	Calculated Property
Cp,gas	342.53	J/mol×K	596.11	Calculated Property
Cp,gas	368.15	J/mol×K	676.89	Calculated Property
Cp,gas	390.51	J/mol×K	757.67	Calculated Property
Cp,gas	410.17	J/mol×K	838.44	Calculated Property
Cp,gas	427.68	J/mol×K	919.22	Calculated Property
Cp,gas	443.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006184; 0.0000420]	Pa×s	[425.28; 589.01]	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			-1.70649e+01
Coefficient B			4.11526e+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.			425.28
Temperature range, max.			589.01
η	0.0006184	Pa×s	425.28	Calculated Property
η	0.0004158	Pa×s	443.47	Calculated Property
η	0.0002885	Pa×s	461.66	Calculated Property
η	0.0002057	Pa×s	479.86	Calculated Property
η	0.0001504	Pa×s	498.05	Calculated Property
η	0.0001124	Pa×s	516.24	Calculated Property
η	0.0000857	Pa×s	534.43	Calculated Property
η	0.0000665	Pa×s	552.63	Calculated Property
η	0.0000525	Pa×s	570.82	Calculated Property
η	0.0000420	Pa×s	589.01	Calculated Property

Similar Compounds

Find more compounds similar to Propiophenone, 4'-hydroxy-3'-methoxy.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.