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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.54; 500.62]	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			3.48000e+01
Coefficient B			8.22440e-01
Coefficient C			-3.97320e-04
Coefficient D			4.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.54	J/mol×K	273.00	Calculated Property
Cp,gas	277.84	J/mol×K	353.78	Calculated Property
Cp,gas	320.51	J/mol×K	434.56	Calculated Property
Cp,gas	358.69	J/mol×K	515.33	Calculated Property
Cp,gas	392.50	J/mol×K	596.11	Calculated Property
Cp,gas	422.08	J/mol×K	676.89	Calculated Property
Cp,gas	447.55	J/mol×K	757.67	Calculated Property
Cp,gas	469.05	J/mol×K	838.44	Calculated Property
Cp,gas	486.69	J/mol×K	919.22	Calculated Property
Cp,gas	500.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011885; 0.0001583]	Pa×s	[377.94; 601.20]	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			-1.21644e+01
Coefficient B			2.05194e+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.			377.94
Temperature range, max.			601.20
η	0.0011885	Pa×s	377.94	Calculated Property
η	0.0008507	Pa×s	402.75	Calculated Property
η	0.0006330	Pa×s	427.55	Calculated Property
η	0.0004865	Pa×s	452.36	Calculated Property
η	0.0003843	Pa×s	477.17	Calculated Property
η	0.0003107	Pa×s	501.97	Calculated Property
η	0.0002563	Pa×s	526.78	Calculated Property
η	0.0002151	Pa×s	551.59	Calculated Property
η	0.0001833	Pa×s	576.39	Calculated Property
η	0.0001583	Pa×s	601.20	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

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.