Chemical Properties of Diethylmalonic acid, heptyl 2-methoxyethyl ester

InChI

InChI=1S/C17H32O5/c1-5-8-9-10-11-12-21-15(18)17(6-2,7-3)16(19)22-14-13-20-4/h5-14H2,1-4H3

InChI Key

ZAXZKKMLSYTMIW-UHFFFAOYSA-N

Formula

C17H32O5

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)OCCOC

Molecular Weight¹

316.43

• 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).
• 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_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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[412.73; 932.56]	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			3.92800e+01
Coefficient B			1.57188e+00
Coefficient C			-7.72600e-04
Coefficient D			9.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.73	J/mol×K	273.00	Calculated Property
Cp,gas	502.84	J/mol×K	353.78	Calculated Property
Cp,gas	584.17	J/mol×K	434.56	Calculated Property
Cp,gas	657.01	J/mol×K	515.33	Calculated Property
Cp,gas	721.66	J/mol×K	596.11	Calculated Property
Cp,gas	778.43	J/mol×K	676.89	Calculated Property
Cp,gas	827.61	J/mol×K	757.67	Calculated Property
Cp,gas	869.49	J/mol×K	838.44	Calculated Property
Cp,gas	904.37	J/mol×K	919.22	Calculated Property
Cp,gas	932.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014940; 0.0000760]	Pa×s	[390.66; 631.28]	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			-1.43219e+01
Coefficient B			3.05323e+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.			390.66
Temperature range, max.			631.28
η	0.0014940	Pa×s	390.66	Calculated Property
η	0.0009056	Pa×s	417.40	Calculated Property
η	0.0005830	Pa×s	444.13	Calculated Property
η	0.0003946	Pa×s	470.87	Calculated Property
η	0.0002785	Pa×s	497.60	Calculated Property
η	0.0002037	Pa×s	524.34	Calculated Property
η	0.0001536	Pa×s	551.07	Calculated Property
η	0.0001188	Pa×s	577.81	Calculated Property
η	0.0000941	Pa×s	604.54	Calculated Property
η	0.0000760	Pa×s	631.28	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptyl 2-methoxyethyl ester.

Sources

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

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