Chemical Properties of 1,4-Dioxan-2-carboxylic acid, 3-(2-phenylethenyl), ethyl ester, (E)

InChI

InChI=1S/C15H18O4/c1-2-17-15(16)14-13(18-10-11-19-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3/b9-8+

InChI Key

OEYIYHOTRRKBSS-CMDGGOBGSA-N

Formula

C15H18O4

SMILES

CCOC(=O)C1OCCOC1/C=C/c1ccccc1

Molecular Weight¹

262.30

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[267.63; 682.97]	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			-5.84490e+01
Coefficient B			1.40472e+00
Coefficient C			-8.10400e-04
Coefficient D			1.47100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.63	J/mol×K	273.00	Calculated Property
Cp,gas	343.59	J/mol×K	353.78	Calculated Property
Cp,gas	411.02	J/mol×K	434.56	Calculated Property
Cp,gas	470.36	J/mol×K	515.33	Calculated Property
Cp,gas	522.11	J/mol×K	596.11	Calculated Property
Cp,gas	566.70	J/mol×K	676.89	Calculated Property
Cp,gas	604.62	J/mol×K	757.67	Calculated Property
Cp,gas	636.33	J/mol×K	838.44	Calculated Property
Cp,gas	662.29	J/mol×K	919.22	Calculated Property
Cp,gas	682.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021912; 0.0001445]	Pa×s	[378.76; 652.96]	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			-1.25985e+01
Coefficient B			2.45254e+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.			378.76
Temperature range, max.			652.96
η	0.0021912	Pa×s	378.76	Calculated Property
η	0.0013531	Pa×s	409.23	Calculated Property
η	0.0008932	Pa×s	439.69	Calculated Property
η	0.0006223	Pa×s	470.16	Calculated Property
η	0.0004530	Pa×s	500.63	Calculated Property
η	0.0003420	Pa×s	531.09	Calculated Property
η	0.0002662	Pa×s	561.56	Calculated Property
η	0.0002126	Pa×s	592.03	Calculated Property
η	0.0001736	Pa×s	622.49	Calculated Property
η	0.0001445	Pa×s	652.96	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dioxan-2-carboxylic acid, 3-(2-phenylethenyl), ethyl ester, (E).

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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