Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2-propylphenyl ester

InChI

InChI=1S/C19H17Cl3O4/c1-2-5-12-6-3-4-7-16(12)25-17(23)8-9-18(24)26-19-14(21)10-13(20)11-15(19)22/h3-4,6-7,10-11H,2,5,8-9H2,1H3

InChI Key

DEUVMSCZECEJPT-UHFFFAOYSA-N

Formula

C19H17Cl3O4

SMILES

CCCc1ccccc1OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

415.69

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.82	kJ/mol	Joback Calculated Property
logPoct/wat	5.891		Crippen Calculated Property
McVol	282.650	ml/mol	McGowan Calculated Property
Inp	[2781.00; 2781.00]
Inp	2781.00		NIST
Inp	2781.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[377.12; 791.37]	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			6.44940e+01
Coefficient B			1.32382e+00
Coefficient C			-6.76040e-04
Coefficient D			7.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.12	J/mol×K	273.00	Calculated Property
Cp,gas	451.72	J/mol×K	353.78	Calculated Property
Cp,gas	518.60	J/mol×K	434.56	Calculated Property
Cp,gas	577.99	J/mol×K	515.33	Calculated Property
Cp,gas	630.16	J/mol×K	596.11	Calculated Property
Cp,gas	675.36	J/mol×K	676.89	Calculated Property
Cp,gas	713.83	J/mol×K	757.67	Calculated Property
Cp,gas	745.82	J/mol×K	838.44	Calculated Property
Cp,gas	771.58	J/mol×K	919.22	Calculated Property
Cp,gas	791.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002743; 0.0000539]	Pa×s	[581.23; 819.41]	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			-1.38010e+01
Coefficient B			3.25468e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			581.23
Temperature range, max.			819.41
η	0.0002743	Pa×s	581.23	Calculated Property
η	0.0002149	Pa×s	607.69	Calculated Property
η	0.0001719	Pa×s	634.16	Calculated Property
η	0.0001399	Pa×s	660.62	Calculated Property
η	0.0001157	Pa×s	687.09	Calculated Property
η	0.0000971	Pa×s	713.55	Calculated Property
η	0.0000825	Pa×s	740.02	Calculated Property
η	0.0000709	Pa×s	766.48	Calculated Property
η	0.0000615	Pa×s	792.95	Calculated Property
η	0.0000539	Pa×s	819.41	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2-propylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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