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

InChI

InChI=1S/C10H9BrCl2O2/c11-5-1-2-10(14)15-7-3-4-8(12)9(13)6-7/h3-4,6H,1-2,5H2

InChI Key

JFERDTAWUDNKAE-UHFFFAOYSA-N

Formula

C10H9BrCl2O2

SMILES

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

Molecular Weight¹

311.99

• 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°	32.97	kJ/mol	Joback Calculated Property
log10WS	-4.66		Relay (1.0) Calculated Property
logPoct/wat	4.074		Crippen Calculated Property
McVol	177.420	ml/mol	McGowan Calculated Property
Inp	[1942.00; 1942.00]
Inp	1942.00		NIST
Inp	1942.00		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	[222.60; 444.35]	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			4.78730e+01
Coefficient B			7.52900e-01
Coefficient C			-4.34920e-04
Coefficient D			7.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.60	J/mol×K	273.00	Calculated Property
Cp,gas	263.27	J/mol×K	353.78	Calculated Property
Cp,gas	299.36	J/mol×K	434.56	Calculated Property
Cp,gas	331.11	J/mol×K	515.33	Calculated Property
Cp,gas	358.77	J/mol×K	596.11	Calculated Property
Cp,gas	382.58	J/mol×K	676.89	Calculated Property
Cp,gas	402.79	J/mol×K	757.67	Calculated Property
Cp,gas	419.66	J/mol×K	838.44	Calculated Property
Cp,gas	433.43	J/mol×K	919.22	Calculated Property
Cp,gas	444.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011500; 0.0001929]	Pa×s	[415.89; 627.79]	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			-1.20580e+01
Coefficient B			2.20008e+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.			415.89
Temperature range, max.			627.79
η	0.0011500	Pa×s	415.89	Calculated Property
η	0.0008662	Pa×s	439.43	Calculated Property
η	0.0006715	Pa×s	462.98	Calculated Property
η	0.0005335	Pa×s	486.52	Calculated Property
η	0.0004330	Pa×s	510.07	Calculated Property
η	0.0003580	Pa×s	533.61	Calculated Property
η	0.0003007	Pa×s	557.16	Calculated Property
η	0.0002562	Pa×s	580.70	Calculated Property
η	0.0002211	Pa×s	604.25	Calculated Property
η	0.0001929	Pa×s	627.79	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutyric 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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