Chemical Properties of Di(E)-but-2-enyl phthalate

InChI

InChI=1S/C16H18O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+

InChI Key

BWGZLWUHRHXHPH-GGWOSOGESA-N

Formula

C16H18O4

SMILES

CC=CCOC(=O)c1ccccc1C(=O)OCC=CC

Molecular Weight¹

274.31

Other Names

• 1,2-Benzenedicarboxylic acid, di-(E)-but-2-enyl ester
• Di(E)-but-2-enyl-1,2-benzenedicarboxylate

• 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).
• 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 Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[294.86; 678.27]	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			-8.80800e+00
Coefficient B			1.31584e+00
Coefficient C			-7.89160e-04
Coefficient D			1.60400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.86	J/mol×K	273.00	Calculated Property
Cp,gas	365.04	J/mol×K	353.78	Calculated Property
Cp,gas	427.14	J/mol×K	434.56	Calculated Property
Cp,gas	481.66	J/mol×K	515.33	Calculated Property
Cp,gas	529.13	J/mol×K	596.11	Calculated Property
Cp,gas	570.04	J/mol×K	676.89	Calculated Property
Cp,gas	604.90	J/mol×K	757.67	Calculated Property
Cp,gas	634.22	J/mol×K	838.44	Calculated Property
Cp,gas	658.51	J/mol×K	919.22	Calculated Property
Cp,gas	678.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012210; 0.0000801]	Pa×s	[383.52; 653.20]	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			-1.33077e+01
Coefficient B			2.53108e+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.			383.52
Temperature range, max.			653.20
η	0.0012210	Pa×s	383.52	Calculated Property
η	0.0007568	Pa×s	413.48	Calculated Property
η	0.0005004	Pa×s	443.45	Calculated Property
η	0.0003487	Pa×s	473.41	Calculated Property
η	0.0002537	Pa×s	503.38	Calculated Property
η	0.0001912	Pa×s	533.34	Calculated Property
η	0.0001486	Pa×s	563.31	Calculated Property
η	0.0001184	Pa×s	593.27	Calculated Property
η	0.0000964	Pa×s	623.24	Calculated Property
η	0.0000801	Pa×s	653.20	Calculated Property

Similar Compounds

Find more compounds similar to Di(E)-but-2-enyl phthalate.

Sources

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

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