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

InChI

InChI=1S/C17H12BrCl3O5/c1-24-14-6-9(18)2-3-13(14)25-15(22)4-5-16(23)26-17-11(20)7-10(19)8-12(17)21/h2-3,6-8H,4-5H2,1H3

InChI Key

AFVHWYWUXHUNOK-UHFFFAOYSA-N

Formula

C17H12BrCl3O5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

482.54

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	53.73	kJ/mol	Joback Calculated Property
logPoct/wat	5.709		Crippen Calculated Property
McVol	277.840	ml/mol	McGowan Calculated Property
Inp	[3182.00; 3182.00]
Inp	3182.00		NIST
Inp	3182.00		NIST
Tboil	668.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[366.64; 712.72]	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			1.14302e+02
Coefficient B			1.04932e+00
Coefficient C			-4.60600e-04
Coefficient D			9.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.64	J/mol×K	273.00	Calculated Property
Cp,gas	428.31	J/mol×K	353.78	Calculated Property
Cp,gas	484.11	J/mol×K	434.56	Calculated Property
Cp,gas	534.06	J/mol×K	515.33	Calculated Property
Cp,gas	578.19	J/mol×K	596.11	Calculated Property
Cp,gas	616.55	J/mol×K	676.89	Calculated Property
Cp,gas	649.14	J/mol×K	757.67	Calculated Property
Cp,gas	676.02	J/mol×K	838.44	Calculated Property
Cp,gas	697.20	J/mol×K	919.22	Calculated Property
Cp,gas	712.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001469; 0.0000414]	Pa×s	[653.24; 861.69]	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			-1.40639e+01
Coefficient B			3.42197e+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.			653.24
Temperature range, max.			861.69
η	0.0001469	Pa×s	653.24	Calculated Property
η	0.0001228	Pa×s	676.40	Calculated Property
η	0.0001039	Pa×s	699.56	Calculated Property
η	0.0000888	Pa×s	722.72	Calculated Property
η	0.0000767	Pa×s	745.89	Calculated Property
η	0.0000668	Pa×s	769.05	Calculated Property
η	0.0000586	Pa×s	792.21	Calculated Property
η	0.0000519	Pa×s	815.37	Calculated Property
η	0.0000462	Pa×s	838.53	Calculated Property
η	0.0000414	Pa×s	861.69	Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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