Chemical Properties of Alpha,alpha-dichloropropionic acid, 2-(2,4-dibromophenoxy) ethyl ester (CAS 99983-48-9)

InChI

InChI=1S/C11H10Br2Cl2O3/c1-11(14,15)10(16)18-5-4-17-9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3

InChI Key

RJZAJEHYXYGMOO-UHFFFAOYSA-N

Formula

C11H10Br2Cl2O3

SMILES

CC(Cl)(Cl)C(=O)OCCOc1ccc(Br)cc1Br

Molecular Weight¹

420.91

CAS

99983-48-9

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

Physical Properties

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, 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	[271.74; 524.98]	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			5.61820e+01
Coefficient B			9.48720e-01
Coefficient C			-6.21520e-04
Coefficient D			1.41600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.74	J/mol×K	273.00	Calculated Property
Cp,gas	320.30	J/mol×K	353.78	Calculated Property
Cp,gas	362.71	J/mol×K	434.56	Calculated Property
Cp,gas	399.41	J/mol×K	515.33	Calculated Property
Cp,gas	430.86	J/mol×K	596.11	Calculated Property
Cp,gas	457.51	J/mol×K	676.89	Calculated Property
Cp,gas	479.79	J/mol×K	757.67	Calculated Property
Cp,gas	498.17	J/mol×K	838.44	Calculated Property
Cp,gas	513.08	J/mol×K	919.22	Calculated Property
Cp,gas	524.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004781; 0.0000937]	Pa×s	[511.61; 714.04]	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			-1.33956e+01
Coefficient B			2.94165e+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.			511.61
Temperature range, max.			714.04
η	0.0004781	Pa×s	511.61	Calculated Property
η	0.0003752	Pa×s	534.10	Calculated Property
η	0.0003004	Pa×s	556.59	Calculated Property
η	0.0002446	Pa×s	579.09	Calculated Property
η	0.0002023	Pa×s	601.58	Calculated Property
η	0.0001696	Pa×s	624.07	Calculated Property
η	0.0001440	Pa×s	646.56	Calculated Property
η	0.0001236	Pa×s	669.06	Calculated Property
η	0.0001071	Pa×s	691.55	Calculated Property
η	0.0000937	Pa×s	714.04	Calculated Property

Similar Compounds

Find more compounds similar to Alpha,alpha-dichloropropionic acid, 2-(2,4-dibromophenoxy) ethyl 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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