Chemical Properties of 1,4-Benzenedicarboxylic acid, di-2-propenyl ester

InChI

InChI=1S/C14H14O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h3-8H,1-2,9-10H2

InChI Key

ZDNFTNPFYCKVTB-UHFFFAOYSA-N

Formula

C14H14O4

SMILES

C=CCOC(=O)c1ccc(C(=O)OCC=C)cc1

Molecular Weight¹

246.26

Other Names

• Diallyl terephthalate
• Terephthalic acid, diallyl ester
• Diallyl ester of terephthalic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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	[260.83; 579.23]	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			1.53920e+01
Coefficient B			1.04580e+00
Coefficient C			-5.58560e-04
Coefficient D			7.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.83	J/mol×K	273.00	Calculated Property
Cp,gas	318.86	J/mol×K	353.78	Calculated Property
Cp,gas	370.66	J/mol×K	434.56	Calculated Property
Cp,gas	416.47	J/mol×K	515.33	Calculated Property
Cp,gas	456.55	J/mol×K	596.11	Calculated Property
Cp,gas	491.12	J/mol×K	676.89	Calculated Property
Cp,gas	520.43	J/mol×K	757.67	Calculated Property
Cp,gas	544.72	J/mol×K	838.44	Calculated Property
Cp,gas	564.24	J/mol×K	919.22	Calculated Property
Cp,gas	579.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016221; 0.0001416]	Pa×s	[367.62; 609.30]	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			-1.25716e+01
Coefficient B			2.25996e+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.			367.62
Temperature range, max.			609.30
η	0.0016221	Pa×s	367.62	Calculated Property
η	0.0010674	Pa×s	394.47	Calculated Property
η	0.0007409	Pa×s	421.33	Calculated Property
η	0.0005372	Pa×s	448.18	Calculated Property
η	0.0004040	Pa×s	475.03	Calculated Property
η	0.0003132	Pa×s	501.89	Calculated Property
η	0.0002492	Pa×s	528.74	Calculated Property
η	0.0002027	Pa×s	555.60	Calculated Property
η	0.0001680	Pa×s	582.45	Calculated Property
η	0.0001416	Pa×s	609.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenedicarboxylic acid, di-2-propenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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