Chemical Properties of Adipic acid, ethyl pent-4-en-2-yl ester

InChI

InChI=1S/C13H22O4/c1-4-8-11(3)17-13(15)10-7-6-9-12(14)16-5-2/h4,11H,1,5-10H2,2-3H3

InChI Key

DKCALIPCOLFPSF-UHFFFAOYSA-N

Formula

C13H22O4

SMILES

C=CCC(C)OC(=O)CCCCC(=O)OCC

Molecular Weight¹

242.32

• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[303.81; 678.26]	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			3.72160e+01
Coefficient B			1.11514e+00
Coefficient C			-5.20300e-04
Coefficient D			4.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.81	J/mol×K	273.00	Calculated Property
Cp,gas	368.65	J/mol×K	353.78	Calculated Property
Cp,gas	427.34	J/mol×K	434.56	Calculated Property
Cp,gas	480.03	J/mol×K	515.33	Calculated Property
Cp,gas	526.86	J/mol×K	596.11	Calculated Property
Cp,gas	567.98	J/mol×K	676.89	Calculated Property
Cp,gas	603.53	J/mol×K	757.67	Calculated Property
Cp,gas	633.66	J/mol×K	838.44	Calculated Property
Cp,gas	658.52	J/mol×K	919.22	Calculated Property
Cp,gas	678.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047378; 0.0001638]	Pa×s	[304.17; 550.61]	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			-1.28698e+01
Coefficient B			2.28662e+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.			304.17
Temperature range, max.			550.61
η	0.0047378	Pa×s	304.17	Calculated Property
η	0.0025465	Pa×s	331.55	Calculated Property
η	0.0015047	Pa×s	358.93	Calculated Property
η	0.0009579	Pa×s	386.32	Calculated Property
η	0.0006474	Pa×s	413.70	Calculated Property
η	0.0004594	Pa×s	441.08	Calculated Property
η	0.0003393	Pa×s	468.46	Calculated Property
η	0.0002591	Pa×s	495.84	Calculated Property
η	0.0002036	Pa×s	523.23	Calculated Property
η	0.0001638	Pa×s	550.61	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, ethyl pent-4-en-2-yl ester.

Sources

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

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