Chemical Properties of Diethylmalonic acid, pentyl tetrahydrofurfuryl ester

InChI

InChI=1S/C17H30O5/c1-4-7-8-11-21-15(18)17(5-2,6-3)16(19)22-13-14-10-9-12-20-14/h14H,4-13H2,1-3H3

InChI Key

IMLKFDBVHWPKQR-UHFFFAOYSA-N

Formula

C17H30O5

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)OCC1CCCO1

Molecular Weight¹

314.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[381.46; 916.88]	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			-2.93830e+01
Coefficient B			1.76376e+00
Coefficient C			-9.97100e-04
Coefficient D			1.79600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.46	J/mol×K	273.00	Calculated Property
Cp,gas	477.75	J/mol×K	353.78	Calculated Property
Cp,gas	563.52	J/mol×K	434.56	Calculated Property
Cp,gas	639.32	J/mol×K	515.33	Calculated Property
Cp,gas	705.74	J/mol×K	596.11	Calculated Property
Cp,gas	763.34	J/mol×K	676.89	Calculated Property
Cp,gas	812.68	J/mol×K	757.67	Calculated Property
Cp,gas	854.34	J/mol×K	838.44	Calculated Property
Cp,gas	888.88	J/mol×K	919.22	Calculated Property
Cp,gas	916.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021091; 0.0001177]	Pa×s	[405.90; 656.42]	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			-1.37223e+01
Coefficient B			3.06891e+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.			405.90
Temperature range, max.			656.42
η	0.0021091	Pa×s	405.90	Calculated Property
η	0.0012983	Pa×s	433.74	Calculated Property
η	0.0008473	Pa×s	461.57	Calculated Property
η	0.0005805	Pa×s	489.41	Calculated Property
η	0.0004143	Pa×s	517.24	Calculated Property
η	0.0003060	Pa×s	545.08	Calculated Property
η	0.0002327	Pa×s	572.91	Calculated Property
η	0.0001816	Pa×s	600.75	Calculated Property
η	0.0001448	Pa×s	628.58	Calculated Property
η	0.0001177	Pa×s	656.42	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentyl tetrahydrofurfuryl 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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