Chemical Properties of 4-Bromobutyric acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C10H8BrCl3O2/c11-3-1-2-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H2

InChI Key

GQVNSYWBIORPPC-UHFFFAOYSA-N

Formula

C10H8BrCl3O2

SMILES

O=C(CCCBr)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

346.43

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[238.55; 449.58]	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			7.50630e+01
Coefficient B			7.00200e-01
Coefficient C			-3.88280e-04
Coefficient D			6.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.55	J/mol×K	273.00	Calculated Property
Cp,gas	276.95	J/mol×K	353.78	Calculated Property
Cp,gas	311.15	J/mol×K	434.56	Calculated Property
Cp,gas	341.35	J/mol×K	515.33	Calculated Property
Cp,gas	367.75	J/mol×K	596.11	Calculated Property
Cp,gas	390.53	J/mol×K	676.89	Calculated Property
Cp,gas	409.91	J/mol×K	757.67	Calculated Property
Cp,gas	426.08	J/mol×K	838.44	Calculated Property
Cp,gas	439.24	J/mol×K	919.22	Calculated Property
Cp,gas	449.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008324; 0.0001773]	Pa×s	[458.33; 659.96]	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			-1.21533e+01
Coefficient B			2.32014e+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.			458.33
Temperature range, max.			659.96
η	0.0008324	Pa×s	458.33	Calculated Property
η	0.0006575	Pa×s	480.73	Calculated Property
η	0.0005304	Pa×s	503.14	Calculated Property
η	0.0004357	Pa×s	525.54	Calculated Property
η	0.0003638	Pa×s	547.94	Calculated Property
η	0.0003080	Pa×s	570.34	Calculated Property
η	0.0002641	Pa×s	592.75	Calculated Property
η	0.0002290	Pa×s	615.15	Calculated Property
η	0.0002006	Pa×s	637.55	Calculated Property
η	0.0001773	Pa×s	659.96	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutyric acid, 2,4,5-trichlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.