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

InChI

InChI=1S/C27H42Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-25(30)27(5-2,6-3)26(31)33-23-20-18-19-22(28)24(23)29/h18-20H,4-17,21H2,1-3H3

InChI Key

DBKGAHBVGXUAIE-UHFFFAOYSA-N

Formula

C27H42Cl2O4

SMILES

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

Molecular Weight¹

501.53

• 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).
• 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°	68.67	kJ/mol	Joback Calculated Property
log10WS	-8.31		Relay (1.0) Calculated Property
logPoct/wat	8.950		Crippen Calculated Property
McVol	406.890	ml/mol	McGowan Calculated Property
Pc	791.71	kPa	Joback Calculated Property
Inp	[3241.00; 3241.00]
Inp	3241.00		NIST
Inp	3241.00		NIST
Tboil	686.33	K	Relay (1.0) Calculated Property
Tfus	317.13	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	[584.12; 1321.90]	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			2.51650e+01
Coefficient B			2.40076e+00
Coefficient C			-1.36552e-03
Coefficient D			2.61500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	584.12	J/mol×K	273.00	Calculated Property
Cp,gas	715.17	J/mol×K	353.78	Calculated Property
Cp,gas	832.02	J/mol×K	434.56	Calculated Property
Cp,gas	935.51	J/mol×K	515.33	Calculated Property
Cp,gas	1026.44	J/mol×K	596.11	Calculated Property
Cp,gas	1105.66	J/mol×K	676.89	Calculated Property
Cp,gas	1173.99	J/mol×K	757.67	Calculated Property
Cp,gas	1232.26	J/mol×K	838.44	Calculated Property
Cp,gas	1281.29	J/mol×K	919.22	Calculated Property
Cp,gas	1321.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001584; 0.0000149]	Pa×s	[592.43; 894.37]	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			-1.57493e+01
Coefficient B			4.14628e+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.			592.43
Temperature range, max.			894.37
η	0.0001584	Pa×s	592.43	Calculated Property
η	0.0001088	Pa×s	625.98	Calculated Property
η	0.0000777	Pa×s	659.53	Calculated Property
η	0.0000573	Pa×s	693.08	Calculated Property
η	0.0000435	Pa×s	726.62	Calculated Property
η	0.0000338	Pa×s	760.17	Calculated Property
η	0.0000268	Pa×s	793.72	Calculated Property
η	0.0000217	Pa×s	827.27	Calculated Property
η	0.0000179	Pa×s	860.82	Calculated Property
η	0.0000149	Pa×s	894.37	Calculated Property

Similar Compounds

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

Sources

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

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