Chemical Properties of Cinnamic acid, alpha-acetyl-4-hydroxy-beta-(hydroxymethyl)-3-methoxy-,gamma-lactone (CAS 73839-65-3)

InChI

InChI=1S/C13H12O5/c1-7(14)12-9(6-18-13(12)16)8-3-4-10(15)11(5-8)17-2/h3-5,15H,6H2,1-2H3

InChI Key

ULTWKORORDEMCL-UHFFFAOYSA-N

Formula

C13H12O5

SMILES

COc1cc(C2=C(C(C)=O)C(=O)OC2)ccc1O

Molecular Weight¹

248.23

CAS

73839-65-3

• 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).
• 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, 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	[249.03; 542.19]	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			1.01000e+00
Coefficient B			1.11144e+00
Coefficient C			-8.08420e-04
Coefficient D			2.38160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.03	J/mol×K	273.00	Calculated Property
Cp,gas	303.58	J/mol×K	353.78	Calculated Property
Cp,gas	350.88	J/mol×K	434.56	Calculated Property
Cp,gas	391.67	J/mol×K	515.33	Calculated Property
Cp,gas	426.73	J/mol×K	596.11	Calculated Property
Cp,gas	456.79	J/mol×K	676.89	Calculated Property
Cp,gas	482.62	J/mol×K	757.67	Calculated Property
Cp,gas	504.96	J/mol×K	838.44	Calculated Property
Cp,gas	524.56	J/mol×K	919.22	Calculated Property
Cp,gas	542.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001803; 0.0000342]	Pa×s	[549.40; 696.83]	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			-1.64856e+01
Coefficient B			4.32103e+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.			549.40
Temperature range, max.			696.83
η	0.0001803	Pa×s	549.40	Calculated Property
η	0.0001436	Pa×s	565.78	Calculated Property
η	0.0001158	Pa×s	582.16	Calculated Property
η	0.0000945	Pa×s	598.54	Calculated Property
η	0.0000780	Pa×s	614.93	Calculated Property
η	0.0000650	Pa×s	631.31	Calculated Property
η	0.0000547	Pa×s	647.69	Calculated Property
η	0.0000464	Pa×s	664.07	Calculated Property
η	0.0000397	Pa×s	680.45	Calculated Property
η	0.0000342	Pa×s	696.83	Calculated Property

Similar Compounds

Find more compounds similar to Cinnamic acid, alpha-acetyl-4-hydroxy-beta-(hydroxymethyl)-3-methoxy-,gamma-lactone.

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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