Chemical Properties of Bromoacetic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C8H5BrCl2O2/c9-4-8(12)13-5-1-2-6(10)7(11)3-5/h1-3H,4H2

InChI Key

BWDIBLSMEKLSNP-UHFFFAOYSA-N

Formula

C8H5BrCl2O2

SMILES

O=C(CBr)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

283.94

• 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).
• 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

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 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	[180.17; 341.17]	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			4.96910e+01
Coefficient B			5.62900e-01
Coefficient C			-3.26120e-04
Coefficient D			5.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.17	J/mol×K	273.00	Calculated Property
Cp,gas	210.44	J/mol×K	353.78	Calculated Property
Cp,gas	237.21	J/mol×K	434.56	Calculated Property
Cp,gas	260.65	J/mol×K	515.33	Calculated Property
Cp,gas	280.94	J/mol×K	596.11	Calculated Property
Cp,gas	298.25	J/mol×K	676.89	Calculated Property
Cp,gas	312.76	J/mol×K	757.67	Calculated Property
Cp,gas	324.63	J/mol×K	838.44	Calculated Property
Cp,gas	334.05	J/mol×K	919.22	Calculated Property
Cp,gas	341.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013073; 0.0002212]	Pa×s	[393.35; 602.68]	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			-1.17543e+01
Coefficient B			2.01176e+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.			393.35
Temperature range, max.			602.68
η	0.0013073	Pa×s	393.35	Calculated Property
η	0.0009826	Pa×s	416.61	Calculated Property
η	0.0007611	Pa×s	439.87	Calculated Property
η	0.0006049	Pa×s	463.13	Calculated Property
η	0.0004915	Pa×s	486.39	Calculated Property
η	0.0004069	Pa×s	509.64	Calculated Property
η	0.0003425	Pa×s	532.90	Calculated Property
η	0.0002925	Pa×s	556.16	Calculated Property
η	0.0002530	Pa×s	579.42	Calculated Property
η	0.0002212	Pa×s	602.68	Calculated Property

Similar Compounds

Find more compounds similar to Bromoacetic acid, 3,4-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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