Chemical Properties of Diethylmalonic acid, pentyl 1-tert-butyloxyprop-2-yl ester

InChI

InChI=1S/C19H36O5/c1-8-11-12-13-22-16(20)19(9-2,10-3)17(21)24-15(4)14-23-18(5,6)7/h15H,8-14H2,1-7H3

InChI Key

PMZGGLLJRBWUPX-UHFFFAOYSA-N

Formula

C19H36O5

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)OC(C)COC(C)(C)C

Molecular Weight¹

344.49

• 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).
• 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 Pressure, Critical Volume, 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	[453.39; 1037.75]	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			1.13070e+01
Coefficient B			1.89364e+00
Coefficient C			-1.05640e-03
Coefficient D			1.89200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	453.39	J/mol×K	273.00	Calculated Property
Cp,gas	557.39	J/mol×K	353.78	Calculated Property
Cp,gas	650.24	J/mol×K	434.56	Calculated Property
Cp,gas	732.51	J/mol×K	515.33	Calculated Property
Cp,gas	804.81	J/mol×K	596.11	Calculated Property
Cp,gas	867.75	J/mol×K	676.89	Calculated Property
Cp,gas	921.91	J/mol×K	757.67	Calculated Property
Cp,gas	967.90	J/mol×K	838.44	Calculated Property
Cp,gas	1006.31	J/mol×K	919.22	Calculated Property
Cp,gas	1037.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014784; 0.0000445]	Pa×s	[400.62; 666.34]	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			-1.53029e+01
Coefficient B			3.51991e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			400.62
Temperature range, max.			666.34
η	0.0014784	Pa×s	400.62	Calculated Property
η	0.0008089	Pa×s	430.14	Calculated Property
η	0.0004782	Pa×s	459.67	Calculated Property
η	0.0003012	Pa×s	489.19	Calculated Property
η	0.0002000	Pa×s	518.72	Calculated Property
η	0.0001388	Pa×s	548.24	Calculated Property
η	0.0001000	Pa×s	577.77	Calculated Property
η	0.0000743	Pa×s	607.29	Calculated Property
η	0.0000568	Pa×s	636.81	Calculated Property
η	0.0000445	Pa×s	666.34	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentyl 1-tert-butyloxyprop-2-yl ester.

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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