Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 4-bromophenyl ester

InChI

InChI=1S/C17H13BrCl2O4/c18-11-7-9-12(10-8-11)23-15(21)5-2-6-16(22)24-14-4-1-3-13(19)17(14)20/h1,3-4,7-10H,2,5-6H2

InChI Key

HLRAOVLMAIGRPE-UHFFFAOYSA-N

Formula

C17H13BrCl2O4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1Cl)Oc1ccc(Br)cc1

Molecular Weight¹

432.10

• 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°	49.12	kJ/mol	Joback Calculated Property
logPoct/wat	5.437		Crippen Calculated Property
McVol	259.730	ml/mol	McGowan Calculated Property
Inp	[3065.00; 3065.00]
Inp	3065.00		NIST
Inp	3065.00		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	[332.73; 692.03]	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			4.73130e+01
Coefficient B			1.22470e+00
Coefficient C			-6.85280e-04
Coefficient D			1.05300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.73	J/mol×K	273.00	Calculated Property
Cp,gas	399.48	J/mol×K	353.78	Calculated Property
Cp,gas	458.75	J/mol×K	434.56	Calculated Property
Cp,gas	510.86	J/mol×K	515.33	Calculated Property
Cp,gas	556.16	J/mol×K	596.11	Calculated Property
Cp,gas	594.98	J/mol×K	676.89	Calculated Property
Cp,gas	627.64	J/mol×K	757.67	Calculated Property
Cp,gas	654.48	J/mol×K	838.44	Calculated Property
Cp,gas	675.83	J/mol×K	919.22	Calculated Property
Cp,gas	692.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003117; 0.0000614]	Pa×s	[576.05; 811.06]	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			-1.36823e+01
Coefficient B			3.23108e+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.			576.05
Temperature range, max.			811.06
η	0.0003117	Pa×s	576.05	Calculated Property
η	0.0002444	Pa×s	602.16	Calculated Property
η	0.0001956	Pa×s	628.28	Calculated Property
η	0.0001593	Pa×s	654.39	Calculated Property
η	0.0001318	Pa×s	680.50	Calculated Property
η	0.0001106	Pa×s	706.61	Calculated Property
η	0.0000940	Pa×s	732.73	Calculated Property
η	0.0000807	Pa×s	758.84	Calculated Property
η	0.0000701	Pa×s	784.95	Calculated Property
η	0.0000614	Pa×s	811.06	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 4-bromophenyl 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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