Chemical Properties of Diethylmalonic acid, dodecyl tetrahydrofurfuryl ester

InChI

InChI=1S/C24H44O5/c1-4-7-8-9-10-11-12-13-14-15-18-28-22(25)24(5-2,6-3)23(26)29-20-21-17-16-19-27-21/h21H,4-20H2,1-3H3

InChI Key

HDSMWCSOUVPZAB-UHFFFAOYSA-N

Formula

C24H44O5

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC1CCCO1

Molecular Weight¹

412.60

• 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°	61.15	kJ/mol	Joback Calculated Property
logPoct/wat	5.979		Crippen Calculated Property
McVol	358.910	ml/mol	McGowan Calculated Property
Inp	[2664.00; 2664.00]
Inp	2664.00		NIST
Inp	2664.00		NIST
Tboil	658.66	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	[529.96; 1278.01]	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			-3.57460e+01
Coefficient B			2.42876e+00
Coefficient C			-1.37790e-03
Coefficient D			2.62900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	529.96	J/mol×K	273.00	Calculated Property
Cp,gas	662.68	J/mol×K	353.78	Calculated Property
Cp,gas	781.06	J/mol×K	434.56	Calculated Property
Cp,gas	885.93	J/mol×K	515.33	Calculated Property
Cp,gas	978.12	J/mol×K	596.11	Calculated Property
Cp,gas	1058.47	J/mol×K	676.89	Calculated Property
Cp,gas	1127.80	J/mol×K	757.67	Calculated Property
Cp,gas	1186.94	J/mol×K	838.44	Calculated Property
Cp,gas	1236.74	J/mol×K	919.22	Calculated Property
Cp,gas	1278.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007821; 0.0000438]	Pa×s	[484.79; 775.27]	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			-1.48435e+01
Coefficient B			3.72803e+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.			484.79
Temperature range, max.			775.27
η	0.0007821	Pa×s	484.79	Calculated Property
η	0.0004840	Pa×s	517.07	Calculated Property
η	0.0003168	Pa×s	549.34	Calculated Property
η	0.0002174	Pa×s	581.62	Calculated Property
η	0.0001552	Pa×s	613.89	Calculated Property
η	0.0001146	Pa×s	646.17	Calculated Property
η	0.0000871	Pa×s	678.44	Calculated Property
η	0.0000679	Pa×s	710.72	Calculated Property
η	0.0000540	Pa×s	742.99	Calculated Property
η	0.0000438	Pa×s	775.27	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 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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