Chemical Properties of 2-Bromopropionic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C9H7BrCl2O2/c1-5(10)9(13)14-6-2-3-7(11)8(12)4-6/h2-5H,1H3

InChI Key

HOKTYFOLCUZQDD-UHFFFAOYSA-N

Formula

C9H7BrCl2O2

SMILES

CC(Br)C(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

297.96

• 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

Property	Value	Unit	Source
ΔfusH°	26.85	kJ/mol	Joback Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	3.682		Crippen Calculated Property
McVol	163.330	ml/mol	McGowan Calculated Property
Inp	[1698.00; 1698.00]
Inp	1698.00		NIST
Inp	1698.00		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 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	[201.07; 393.30]	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			4.71000e+01
Coefficient B			6.63820e-01
Coefficient C			-3.83720e-04
Coefficient D			6.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.07	J/mol×K	273.00	Calculated Property
Cp,gas	236.85	J/mol×K	353.78	Calculated Property
Cp,gas	268.53	J/mol×K	434.56	Calculated Property
Cp,gas	296.33	J/mol×K	515.33	Calculated Property
Cp,gas	320.46	J/mol×K	596.11	Calculated Property
Cp,gas	341.12	J/mol×K	676.89	Calculated Property
Cp,gas	358.53	J/mol×K	757.67	Calculated Property
Cp,gas	372.89	J/mol×K	838.44	Calculated Property
Cp,gas	384.41	J/mol×K	919.22	Calculated Property
Cp,gas	393.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014490; 0.0001893]	Pa×s	[389.62; 618.40]	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			-1.20390e+01
Coefficient B			2.14374e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			389.62
Temperature range, max.			618.40
η	0.0014490	Pa×s	389.62	Calculated Property
η	0.0010345	Pa×s	415.04	Calculated Property
η	0.0007678	Pa×s	440.46	Calculated Property
η	0.0005887	Pa×s	465.88	Calculated Property
η	0.0004640	Pa×s	491.30	Calculated Property
η	0.0003744	Pa×s	516.72	Calculated Property
η	0.0003082	Pa×s	542.14	Calculated Property
η	0.0002582	Pa×s	567.56	Calculated Property
η	0.0002196	Pa×s	592.98	Calculated Property
η	0.0001893	Pa×s	618.40	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromopropionic 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

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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