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).
• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.31; 568.32]	J/mol×K	[809.25; 1060.13]
Cp,gas	507.31	J/mol×K	809.25	Joback Calculated Property
Cp,gas	519.60	J/mol×K	851.06	Joback Calculated Property
Cp,gas	530.98	J/mol×K	892.88	Joback Calculated Property
Cp,gas	541.49	J/mol×K	934.69	Joback Calculated Property
Cp,gas	551.18	J/mol×K	976.50	Joback Calculated Property
Cp,gas	560.11	J/mol×K	1018.31	Joback Calculated Property
Cp,gas	568.32	J/mol×K	1060.13	Joback 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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