Chemical Properties of Diethylmalonic acid, nonyl tetrahydrofurfuryl ester

InChI

InChI=1S/C21H38O5/c1-4-7-8-9-10-11-12-15-25-19(22)21(5-2,6-3)20(23)26-17-18-14-13-16-24-18/h18H,4-17H2,1-3H3

InChI Key

ZCTZYXHWRMHOSZ-UHFFFAOYSA-N

Formula

C21H38O5

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC1CCCO1

Molecular Weight¹

370.53

• 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°	53.38	kJ/mol	Joback Calculated Property
logPoct/wat	4.809		Crippen Calculated Property
McVol	316.640	ml/mol	McGowan Calculated Property
Inp	[2367.00; 2367.00]
Inp	2367.00		NIST
Inp	2367.00		NIST
Tboil	638.43	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	[466.32; 1123.24]	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			-3.30190e+01
Coefficient B			2.14376e+00
Coefficient C			-1.21470e-03
Coefficient D			2.27200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	466.32	J/mol×K	273.00	Calculated Property
Cp,gas	583.43	J/mol×K	353.78	Calculated Property
Cp,gas	687.83	J/mol×K	434.56	Calculated Property
Cp,gas	780.24	J/mol×K	515.33	Calculated Property
Cp,gas	861.39	J/mol×K	596.11	Calculated Property
Cp,gas	931.98	J/mol×K	676.89	Calculated Property
Cp,gas	992.75	J/mol×K	757.67	Calculated Property
Cp,gas	1044.40	J/mol×K	838.44	Calculated Property
Cp,gas	1087.66	J/mol×K	919.22	Calculated Property
Cp,gas	1123.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012139; 0.0000693]	Pa×s	[450.98; 721.33]	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			-1.43541e+01
Coefficient B			3.44555e+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.			450.98
Temperature range, max.			721.33
η	0.0012139	Pa×s	450.98	Calculated Property
η	0.0007533	Pa×s	481.02	Calculated Property
η	0.0004945	Pa×s	511.06	Calculated Property
η	0.0003401	Pa×s	541.10	Calculated Property
η	0.0002433	Pa×s	571.13	Calculated Property
η	0.0001800	Pa×s	601.17	Calculated Property
η	0.0001370	Pa×s	631.21	Calculated Property
η	0.0001069	Pa×s	661.25	Calculated Property
η	0.0000853	Pa×s	691.29	Calculated Property
η	0.0000693	Pa×s	721.33	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, nonyl 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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