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

InChI

InChI=1S/C16H9Cl5O4/c17-8-6-11(20)16(12(21)7-8)25-14(23)5-4-13(22)24-15-9(18)2-1-3-10(15)19/h1-3,6-7H,4-5H2

InChI Key

YLSCBZSPLYZZRK-UHFFFAOYSA-N

Formula

C16H9Cl5O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Oc1c(Cl)cccc1Cl

Molecular Weight¹

442.50

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	53.06	kJ/mol	Joback Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-7.08		Relay (1.0) Calculated Property
logPoct/wat	6.245		Crippen Calculated Property
McVol	264.860	ml/mol	McGowan Calculated Property
Inp	[3007.00; 3007.00]
Inp	3007.00		NIST
Inp	3007.00		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 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	[342.84; 650.10]	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			1.07302e+02
Coefficient B			9.92900e-01
Coefficient C			-4.86600e-04
Coefficient D			3.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.84	J/mol×K	273.00	Calculated Property
Cp,gas	399.28	J/mol×K	353.78	Calculated Property
Cp,gas	449.88	J/mol×K	434.56	Calculated Property
Cp,gas	494.75	J/mol×K	515.33	Calculated Property
Cp,gas	534.00	J/mol×K	596.11	Calculated Property
Cp,gas	567.76	J/mol×K	676.89	Calculated Property
Cp,gas	596.13	J/mol×K	757.67	Calculated Property
Cp,gas	619.23	J/mol×K	838.44	Calculated Property
Cp,gas	637.19	J/mol×K	919.22	Calculated Property
Cp,gas	650.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002318; 0.0000592]	Pa×s	[619.78; 836.61]	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			-1.36355e+01
Coefficient B			3.26358e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			619.78
Temperature range, max.			836.61
η	0.0002318	Pa×s	619.78	Calculated Property
η	0.0001903	Pa×s	643.87	Calculated Property
η	0.0001585	Pa×s	667.96	Calculated Property
η	0.0001337	Pa×s	692.06	Calculated Property
η	0.0001141	Pa×s	716.15	Calculated Property
η	0.0000984	Pa×s	740.24	Calculated Property
η	0.0000856	Pa×s	764.33	Calculated Property
η	0.0000751	Pa×s	788.42	Calculated Property
η	0.0000665	Pa×s	812.51	Calculated Property
η	0.0000592	Pa×s	836.61	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2,6-dichlorophenyl 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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