Chemical Properties of 2(P-bromophenoxy)ethyl alpha,alpha-dichloropropionate (CAS 99852-98-9)

InChI

InChI=1S/C11H11BrCl2O3/c1-11(13,14)10(15)17-7-6-16-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3

InChI Key

KQILBCATKAJIDX-UHFFFAOYSA-N

Formula

C11H11BrCl2O3

SMILES

CC(Cl)(Cl)C(=O)OCCOc1ccc(Br)cc1

Molecular Weight¹

342.01

CAS

99852-98-9

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

Physical Properties

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	[255.21; 518.95]	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			3.36920e+01
Coefficient B			9.70020e-01
Coefficient C			-6.17160e-04
Coefficient D			1.32400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.21	J/mol×K	273.00	Calculated Property
Cp,gas	305.48	J/mol×K	353.78	Calculated Property
Cp,gas	349.54	J/mol×K	434.56	Calculated Property
Cp,gas	387.80	J/mol×K	515.33	Calculated Property
Cp,gas	420.67	J/mol×K	596.11	Calculated Property
Cp,gas	448.58	J/mol×K	676.89	Calculated Property
Cp,gas	471.94	J/mol×K	757.67	Calculated Property
Cp,gas	491.18	J/mol×K	838.44	Calculated Property
Cp,gas	506.71	J/mol×K	919.22	Calculated Property
Cp,gas	518.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008989; 0.0001167]	Pa×s	[439.29; 656.82]	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			-1.31791e+01
Coefficient B			2.70813e+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.			439.29
Temperature range, max.			656.82
η	0.0008989	Pa×s	439.29	Calculated Property
η	0.0006517	Pa×s	463.46	Calculated Property
η	0.0004879	Pa×s	487.63	Calculated Property
η	0.0003753	Pa×s	511.80	Calculated Property
η	0.0002956	Pa×s	535.97	Calculated Property
η	0.0002377	Pa×s	560.14	Calculated Property
η	0.0001946	Pa×s	584.31	Calculated Property
η	0.0001619	Pa×s	608.48	Calculated Property
η	0.0001366	Pa×s	632.65	Calculated Property
η	0.0001167	Pa×s	656.82	Calculated Property

Similar Compounds

Find more compounds similar to 2(P-bromophenoxy)ethyl alpha,alpha-dichloropropionate.

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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