Chemical Properties of Carbonic acid, propargyl 2-ethylhexyl ester

InChI

InChI=1S/C12H20O3/c1-4-7-8-11(6-3)10-15-12(13)14-9-5-2/h2,11H,4,6-10H2,1,3H3

InChI Key

QOJFGFLSHWRPKO-UHFFFAOYSA-N

Formula

C12H20O3

SMILES

C#CCOC(=O)OCC(CC)CCCC

Molecular Weight¹

212.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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, 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	[280.29; 607.89]	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			5.49860e+01
Coefficient B			9.37840e-01
Coefficient C			-4.22530e-04
Coefficient D			3.75900e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.29	J/mol×K	273.00	Calculated Property
Cp,gas	335.55	J/mol×K	353.78	Calculated Property
Cp,gas	385.82	J/mol×K	434.56	Calculated Property
Cp,gas	431.22	J/mol×K	515.33	Calculated Property
Cp,gas	471.86	J/mol×K	596.11	Calculated Property
Cp,gas	507.86	J/mol×K	676.89	Calculated Property
Cp,gas	539.35	J/mol×K	757.67	Calculated Property
Cp,gas	566.43	J/mol×K	838.44	Calculated Property
Cp,gas	589.24	J/mol×K	919.22	Calculated Property
Cp,gas	607.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, propargyl 2-ethylhexyl ester.

Sources

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

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