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

InChI

InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-24(29)26(5-2,6-3)25(30)32-22-19-17-18-21(27)23(22)28/h17-19H,4-16,20H2,1-3H3

InChI Key

CIFKZBWIZCZYSB-UHFFFAOYSA-N

Formula

C26H40Cl2O4

SMILES

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

Molecular Weight¹

487.50

• 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).
• 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°	66.08	kJ/mol	Joback Calculated Property
log10WS	-8.03		Relay (1.0) Calculated Property
logPoct/wat	8.559		Crippen Calculated Property
McVol	392.800	ml/mol	McGowan Calculated Property
Pc	836.28	kPa	Joback Calculated Property
Inp	[3140.00; 3140.00]
Inp	3140.00		NIST
Inp	3140.00		NIST
Tboil	679.48	K	Relay (1.0) Calculated Property
Tfus	315.91	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	[562.91; 1270.31]	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			2.60740e+01
Coefficient B			2.30576e+00
Coefficient C			-1.31112e-03
Coefficient D			2.49600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	562.91	J/mol×K	273.00	Calculated Property
Cp,gas	688.75	J/mol×K	353.78	Calculated Property
Cp,gas	800.95	J/mol×K	434.56	Calculated Property
Cp,gas	900.28	J/mol×K	515.33	Calculated Property
Cp,gas	987.53	J/mol×K	596.11	Calculated Property
Cp,gas	1063.50	J/mol×K	676.89	Calculated Property
Cp,gas	1128.97	J/mol×K	757.67	Calculated Property
Cp,gas	1184.74	J/mol×K	838.44	Calculated Property
Cp,gas	1231.59	J/mol×K	919.22	Calculated Property
Cp,gas	1270.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001830; 0.0000177]	Pa×s	[581.16; 873.71]	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			-1.55787e+01
Coefficient B			4.05212e+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.			581.16
Temperature range, max.			873.71
η	0.0001830	Pa×s	581.16	Calculated Property
η	0.0001265	Pa×s	613.67	Calculated Property
η	0.0000907	Pa×s	646.17	Calculated Property
η	0.0000672	Pa×s	678.68	Calculated Property
η	0.0000511	Pa×s	711.18	Calculated Property
η	0.0000399	Pa×s	743.69	Calculated Property
η	0.0000317	Pa×s	776.19	Calculated Property
η	0.0000257	Pa×s	808.70	Calculated Property
η	0.0000212	Pa×s	841.20	Calculated Property
η	0.0000177	Pa×s	873.71	Calculated Property

Similar Compounds

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

Sources

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

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