Chemical Properties of Diethylmalonic acid, hexyl tetrahydrofurfuryl ester

InChI

InChI=1S/C18H32O5/c1-4-7-8-9-12-22-16(19)18(5-2,6-3)17(20)23-14-15-11-10-13-21-15/h15H,4-14H2,1-3H3

InChI Key

GLEWGPZZFPUAAP-UHFFFAOYSA-N

Formula

C18H32O5

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCC1CCCO1

Molecular Weight¹

328.44

• 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	[402.68; 968.47]	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			-3.02920e+01
Coefficient B			1.85876e+00
Coefficient C			-1.05150e-03
Coefficient D			1.91500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	402.68	J/mol×K	273.00	Calculated Property
Cp,gas	504.17	J/mol×K	353.78	Calculated Property
Cp,gas	594.59	J/mol×K	434.56	Calculated Property
Cp,gas	674.55	J/mol×K	515.33	Calculated Property
Cp,gas	744.65	J/mol×K	596.11	Calculated Property
Cp,gas	805.50	J/mol×K	676.89	Calculated Property
Cp,gas	857.70	J/mol×K	757.67	Calculated Property
Cp,gas	901.86	J/mol×K	838.44	Calculated Property
Cp,gas	938.58	J/mol×K	919.22	Calculated Property
Cp,gas	968.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018448; 0.0001040]	Pa×s	[417.17; 672.01]	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			-1.38776e+01
Coefficient B			3.16307e+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.			417.17
Temperature range, max.			672.01
η	0.0018448	Pa×s	417.17	Calculated Property
η	0.0011393	Pa×s	445.49	Calculated Property
η	0.0007453	Pa×s	473.80	Calculated Property
η	0.0005115	Pa×s	502.12	Calculated Property
η	0.0003654	Pa×s	530.43	Calculated Property
η	0.0002701	Pa×s	558.75	Calculated Property
η	0.0002056	Pa×s	587.06	Calculated Property
η	0.0001604	Pa×s	615.38	Calculated Property
η	0.0001280	Pa×s	643.69	Calculated Property
η	0.0001040	Pa×s	672.01	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.