Chemical Properties of Diethylmalonic acid, hept-4-yl propyl ester

InChI

InChI=1S/C17H32O4/c1-6-11-14(12-7-2)21-16(19)17(9-4,10-5)15(18)20-13-8-3/h14H,6-13H2,1-5H3

InChI Key

UMBYMLOIYFJTGM-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OC(CCC)CCC

Molecular Weight¹

300.44

• 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).
• 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, Log10 of Water solubility in mol/l 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	[397.02; 914.60]	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			1.20980e+01
Coefficient B			1.64100e+00
Coefficient C			-8.86800e-04
Coefficient D			1.48300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.02	J/mol×K	273.00	Calculated Property
Cp,gas	488.22	J/mol×K	353.78	Calculated Property
Cp,gas	569.91	J/mol×K	434.56	Calculated Property
Cp,gas	642.55	J/mol×K	515.33	Calculated Property
Cp,gas	706.61	J/mol×K	596.11	Calculated Property
Cp,gas	762.55	J/mol×K	676.89	Calculated Property
Cp,gas	810.86	J/mol×K	757.67	Calculated Property
Cp,gas	851.99	J/mol×K	838.44	Calculated Property
Cp,gas	886.41	J/mol×K	919.22	Calculated Property
Cp,gas	914.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032753; 0.0000911]	Pa×s	[353.43; 616.14]	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			-1.41218e+01
Coefficient B			2.96896e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			353.43
Temperature range, max.			616.14
η	0.0032753	Pa×s	353.43	Calculated Property
η	0.0017256	Pa×s	382.62	Calculated Property
η	0.0009955	Pa×s	411.81	Calculated Property
η	0.0006178	Pa×s	441.00	Calculated Property
η	0.0004067	Pa×s	470.19	Calculated Property
η	0.0002812	Pa×s	499.38	Calculated Property
η	0.0002025	Pa×s	528.57	Calculated Property
η	0.0001509	Pa×s	557.76	Calculated Property
η	0.0001158	Pa×s	586.95	Calculated Property
η	0.0000911	Pa×s	616.14	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hept-4-yl propyl 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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