Chemical Properties of 4-(2-formylvinyl)-2-methoxyphenyl acetate (CAS 65401-83-4)

InChI

InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+

InChI Key

VEKAJHBFBMWJKI-ONEGZZNKSA-N

Formula

C12H12O4

SMILES

COc1cc(C=CC=O)ccc1OC(C)=O

Molecular Weight¹

220.22

CAS

65401-83-4

Other Names

• (E)-2-Methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.77; 476.30]	J/mol×K	[662.13; 878.68]
Cp,gas	413.77	J/mol×K	662.13	Joback Calculated Property
Cp,gas	426.05	J/mol×K	698.22	Joback Calculated Property
Cp,gas	437.58	J/mol×K	734.31	Joback Calculated Property
Cp,gas	448.36	J/mol×K	770.40	Joback Calculated Property
Cp,gas	458.40	J/mol×K	806.49	Joback Calculated Property
Cp,gas	467.71	J/mol×K	842.59	Joback Calculated Property
Cp,gas	476.30	J/mol×K	878.68	Joback Calculated Property
η	[0.0001409; 0.0009540]	Pa×s	[407.77; 662.13]
η	0.0009540	Pa×s	407.77	Joback Calculated Property
η	0.0005969	Pa×s	450.16	Joback Calculated Property
η	0.0004049	Pa×s	492.56	Joback Calculated Property
η	0.0002920	Pa×s	534.95	Joback Calculated Property
η	0.0002210	Pa×s	577.34	Joback Calculated Property
η	0.0001737	Pa×s	619.74	Joback Calculated Property
η	0.0001409	Pa×s	662.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(2-formylvinyl)-2-methoxyphenyl acetate.

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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