Chemical Properties of 4-Bromobutyric acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C10H7BrCl4O2/c11-3-1-2-7(16)17-10-6(13)4-5(12)8(14)9(10)15/h4H,1-3H2

InChI Key

YTEKABDCGWBMNM-UHFFFAOYSA-N

Formula

C10H7BrCl4O2

SMILES

O=C(CCCBr)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

380.88

• 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°	40.58	kJ/mol	Joback Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	5.381		Crippen Calculated Property
McVol	201.900	ml/mol	McGowan Calculated Property
Inp	[2284.00; 2284.00]
Inp	2284.00		NIST
Inp	2284.00		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	[254.51; 454.81]	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			1.02253e+02
Coefficient B			6.47500e-01
Coefficient C			-3.41640e-04
Coefficient D			4.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.51	J/mol×K	273.00	Calculated Property
Cp,gas	290.63	J/mol×K	353.78	Calculated Property
Cp,gas	322.95	J/mol×K	434.56	Calculated Property
Cp,gas	351.59	J/mol×K	515.33	Calculated Property
Cp,gas	376.73	J/mol×K	596.11	Calculated Property
Cp,gas	398.49	J/mol×K	676.89	Calculated Property
Cp,gas	417.03	J/mol×K	757.67	Calculated Property
Cp,gas	432.50	J/mol×K	838.44	Calculated Property
Cp,gas	445.05	J/mol×K	919.22	Calculated Property
Cp,gas	454.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006201; 0.0001614]	Pa×s	[500.77; 691.87]	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			-1.22585e+01
Coefficient B			2.44020e+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.			500.77
Temperature range, max.			691.87
η	0.0006201	Pa×s	500.77	Calculated Property
η	0.0005086	Pa×s	522.00	Calculated Property
η	0.0004237	Pa×s	543.24	Calculated Property
η	0.0003578	Pa×s	564.47	Calculated Property
η	0.0003059	Pa×s	585.70	Calculated Property
η	0.0002644	Pa×s	606.94	Calculated Property
η	0.0002308	Pa×s	628.17	Calculated Property
η	0.0002033	Pa×s	649.40	Calculated Property
η	0.0001805	Pa×s	670.64	Calculated Property
η	0.0001614	Pa×s	691.87	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutyric acid, 2,3,4,6-tetrachlorophenyl 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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