Chemical Properties of Allylpyrocatechol monoacetate

InChI

InChI=1S/C11H12O3/c1-3-4-9-5-6-11(10(13)7-9)14-8(2)12/h3,5-7,13H,1,4H2,2H3

InChI Key

PNSJXUWAPPRSKA-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

C=CCc1ccc(OC(C)=O)c(O)c1

Molecular Weight¹

192.21

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[207.54; 467.28]	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			-1.32190e+01
Coefficient B			9.90220e-01
Coefficient C			-7.23420e-04
Coefficient D			2.13700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.54	J/mol×K	273.00	Calculated Property
Cp,gas	256.02	J/mol×K	353.78	Calculated Property
Cp,gas	298.01	J/mol×K	434.56	Calculated Property
Cp,gas	334.20	J/mol×K	515.33	Calculated Property
Cp,gas	365.26	J/mol×K	596.11	Calculated Property
Cp,gas	391.87	J/mol×K	676.89	Calculated Property
Cp,gas	414.70	J/mol×K	757.67	Calculated Property
Cp,gas	434.43	J/mol×K	838.44	Calculated Property
Cp,gas	451.73	J/mol×K	919.22	Calculated Property
Cp,gas	467.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009067; 0.0000365]	Pa×s	[404.96; 588.86]	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			-1.72924e+01
Coefficient B			4.16570e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			404.96
Temperature range, max.			588.86
η	0.0009067	Pa×s	404.96	Calculated Property
η	0.0005532	Pa×s	425.39	Calculated Property
η	0.0003531	Pa×s	445.83	Calculated Property
η	0.0002345	Pa×s	466.26	Calculated Property
η	0.0001611	Pa×s	486.70	Calculated Property
η	0.0001141	Pa×s	507.13	Calculated Property
η	0.0000830	Pa×s	527.56	Calculated Property
η	0.0000619	Pa×s	548.00	Calculated Property
η	0.0000471	Pa×s	568.43	Calculated Property
η	0.0000365	Pa×s	588.86	Calculated Property

Similar Compounds

Find more compounds similar to Allylpyrocatechol monoacetate.

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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