Chemical Properties of Diethylmalonic acid, decyl 2,3-dichlorophenyl ester

InChI

InChI=1S/C23H34Cl2O4/c1-4-7-8-9-10-11-12-13-17-28-21(26)23(5-2,6-3)22(27)29-19-16-14-15-18(24)20(19)25/h14-16H,4-13,17H2,1-3H3

InChI Key

MQEUAPZJECHBTF-UHFFFAOYSA-N

Formula

C23H34Cl2O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

445.42

• 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°	58.31	kJ/mol	Joback Calculated Property
log10WS	-7.21		Relay (1.0) Calculated Property
logPoct/wat	7.389		Crippen Calculated Property
McVol	350.530	ml/mol	McGowan Calculated Property
Pc	995.13	kPa	Joback Calculated Property
Inp	[2812.00; 2812.00]
Inp	2812.00		NIST
Inp	2812.00		NIST
Tboil	658.76	K	Relay (1.0) Calculated Property
Tfus	311.53	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	[499.27; 1115.54]	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			2.88010e+01
Coefficient B			2.02076e+00
Coefficient C			-1.14792e-03
Coefficient D			2.13900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	499.27	J/mol×K	273.00	Calculated Property
Cp,gas	609.50	J/mol×K	353.78	Calculated Property
Cp,gas	707.71	J/mol×K	434.56	Calculated Property
Cp,gas	794.59	J/mol×K	515.33	Calculated Property
Cp,gas	870.80	J/mol×K	596.11	Calculated Property
Cp,gas	937.02	J/mol×K	676.89	Calculated Property
Cp,gas	993.92	J/mol×K	757.67	Calculated Property
Cp,gas	1042.20	J/mol×K	838.44	Calculated Property
Cp,gas	1082.51	J/mol×K	919.22	Calculated Property
Cp,gas	1115.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002788; 0.0000288]	Pa×s	[547.35; 816.29]	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			-1.50720e+01
Coefficient B			3.76964e+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.			547.35
Temperature range, max.			816.29
η	0.0002788	Pa×s	547.35	Calculated Property
η	0.0001952	Pa×s	577.23	Calculated Property
η	0.0001416	Pa×s	607.11	Calculated Property
η	0.0001058	Pa×s	637.00	Calculated Property
η	0.0000811	Pa×s	666.88	Calculated Property
η	0.0000637	Pa×s	696.76	Calculated Property
η	0.0000510	Pa×s	726.64	Calculated Property
η	0.0000415	Pa×s	756.53	Calculated Property
η	0.0000344	Pa×s	786.41	Calculated Property
η	0.0000288	Pa×s	816.29	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 2,3-dichlorophenyl ester.

Sources

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

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