Chemical Properties of Diethylmalonic acid, decyl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C25H40O6/c1-6-9-10-11-12-13-14-15-19-30-23(26)25(7-2,8-3)24(27)31-22-20(28-4)17-16-18-21(22)29-5/h16-18H,6-15,19H2,1-5H3

InChI Key

PXKVTKQEGFMWKV-UHFFFAOYSA-N

Formula

C25H40O6

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

436.59

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	57.47	kJ/mol	Joback Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	6.099		Crippen Calculated Property
McVol	365.970	ml/mol	McGowan Calculated Property
Pc	906.15	kPa	Joback Calculated Property
Inp	[2862.00; 2862.00]
Inp	2862.00		NIST
Inp	2862.00		NIST
Tboil	672.04	K	Relay (1.0) Calculated Property
Tfus	339.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[545.69; 1239.18]	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			5.22010e+01
Coefficient B			2.07080e+00
Coefficient C			-9.93920e-04
Coefficient D			1.10100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	545.69	J/mol×K	273.00	Calculated Property
Cp,gas	665.28	J/mol×K	353.78	Calculated Property
Cp,gas	773.42	J/mol×K	434.56	Calculated Property
Cp,gas	870.47	J/mol×K	515.33	Calculated Property
Cp,gas	956.76	J/mol×K	596.11	Calculated Property
Cp,gas	1032.66	J/mol×K	676.89	Calculated Property
Cp,gas	1098.50	J/mol×K	757.67	Calculated Property
Cp,gas	1154.63	J/mol×K	838.44	Calculated Property
Cp,gas	1201.41	J/mol×K	919.22	Calculated Property
Cp,gas	1239.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001643; 0.0000165]	Pa×s	[554.51; 828.11]	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			-1.56740e+01
Coefficient B			3.85950e+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.			554.51
Temperature range, max.			828.11
η	0.0001643	Pa×s	554.51	Calculated Property
η	0.0001144	Pa×s	584.91	Calculated Property
η	0.0000826	Pa×s	615.31	Calculated Property
η	0.0000615	Pa×s	645.71	Calculated Property
η	0.0000470	Pa×s	676.11	Calculated Property
η	0.0000368	Pa×s	706.51	Calculated Property
η	0.0000293	Pa×s	736.91	Calculated Property
η	0.0000238	Pa×s	767.31	Calculated Property
η	0.0000197	Pa×s	797.71	Calculated Property
η	0.0000165	Pa×s	828.11	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 2,6-dimethoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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