Chemical Properties of Diethylmalonic acid, octyl tetrahydrofurfuryl ester

InChI

InChI=1S/C20H36O5/c1-4-7-8-9-10-11-14-24-18(21)20(5-2,6-3)19(22)25-16-17-13-12-15-23-17/h17H,4-16H2,1-3H3

InChI Key

DYJPLVPIGIBPIZ-UHFFFAOYSA-N

Formula

C20H36O5

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC1CCCO1

Molecular Weight¹

356.50

• 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

Property	Value	Unit	Source
ΔfusH°	50.79	kJ/mol	Joback Calculated Property
logPoct/wat	4.419		Crippen Calculated Property
McVol	302.550	ml/mol	McGowan Calculated Property
Inp	[2265.00; 2265.00]
Inp	2265.00		NIST
Inp	2265.00		NIST
Tboil	631.15	K	Relay (1.0) Calculated Property

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	[445.11; 1071.65]	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			-3.21100e+01
Coefficient B			2.04876e+00
Coefficient C			-1.16030e-03
Coefficient D			2.15300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.11	J/mol×K	273.00	Calculated Property
Cp,gas	557.01	J/mol×K	353.78	Calculated Property
Cp,gas	656.75	J/mol×K	434.56	Calculated Property
Cp,gas	745.01	J/mol×K	515.33	Calculated Property
Cp,gas	822.47	J/mol×K	596.11	Calculated Property
Cp,gas	889.82	J/mol×K	676.89	Calculated Property
Cp,gas	947.73	J/mol×K	757.67	Calculated Property
Cp,gas	996.88	J/mol×K	838.44	Calculated Property
Cp,gas	1037.96	J/mol×K	919.22	Calculated Property
Cp,gas	1071.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013992; 0.0000798]	Pa×s	[439.71; 704.43]	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			-1.41937e+01
Coefficient B			3.35139e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			439.71
Temperature range, max.			704.43
η	0.0013992	Pa×s	439.71	Calculated Property
η	0.0008677	Pa×s	469.12	Calculated Property
η	0.0005692	Pa×s	498.54	Calculated Property
η	0.0003914	Pa×s	527.95	Calculated Property
η	0.0002800	Pa×s	557.36	Calculated Property
η	0.0002071	Pa×s	586.78	Calculated Property
η	0.0001577	Pa×s	616.19	Calculated Property
η	0.0001231	Pa×s	645.60	Calculated Property
η	0.0000982	Pa×s	675.01	Calculated Property
η	0.0000798	Pa×s	704.43	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, octyl 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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