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

InChI

InChI=1S/C28H44Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-26(31)28(5-2,6-3)27(32)34-24-21-19-20-23(29)25(24)30/h19-21H,4-18,22H2,1-3H3

InChI Key

ZTCIZKCRXJYSSP-UHFFFAOYSA-N

Formula

C28H44Cl2O4

SMILES

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

Molecular Weight¹

515.56

• 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°	71.26	kJ/mol	Joback Calculated Property
log10WS	-8.58		Relay (1.0) Calculated Property
logPoct/wat	9.340		Crippen Calculated Property
McVol	420.980	ml/mol	McGowan Calculated Property
Pc	750.61	kPa	Joback Calculated Property
Inp	[3340.00; 3340.00]
Inp	3340.00		NIST
Inp	3340.00		NIST
Tboil	693.08	K	Relay (1.0) Calculated Property
Tfus	318.78	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	[605.34; 1373.50]	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			2.42560e+01
Coefficient B			2.49576e+00
Coefficient C			-1.41992e-03
Coefficient D			2.73400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	605.34	J/mol×K	273.00	Calculated Property
Cp,gas	741.59	J/mol×K	353.78	Calculated Property
Cp,gas	863.10	J/mol×K	434.56	Calculated Property
Cp,gas	970.73	J/mol×K	515.33	Calculated Property
Cp,gas	1065.35	J/mol×K	596.11	Calculated Property
Cp,gas	1147.82	J/mol×K	676.89	Calculated Property
Cp,gas	1219.01	J/mol×K	757.67	Calculated Property
Cp,gas	1279.77	J/mol×K	838.44	Calculated Property
Cp,gas	1330.98	J/mol×K	919.22	Calculated Property
Cp,gas	1373.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001368; 0.0000125]	Pa×s	[603.70; 915.88]	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			-1.59207e+01
Coefficient B			4.24044e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			603.70
Temperature range, max.			915.88
η	0.0001368	Pa×s	603.70	Calculated Property
η	0.0000934	Pa×s	638.39	Calculated Property
η	0.0000663	Pa×s	673.07	Calculated Property
η	0.0000487	Pa×s	707.76	Calculated Property
η	0.0000368	Pa×s	742.45	Calculated Property
η	0.0000285	Pa×s	777.13	Calculated Property
η	0.0000226	Pa×s	811.82	Calculated Property
η	0.0000182	Pa×s	846.51	Calculated Property
η	0.0000150	Pa×s	881.19	Calculated Property
η	0.0000125	Pa×s	915.88	Calculated Property

Similar Compounds

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

Sources

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

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