Chemical Properties of 2,4-Dibromophenyl propionate

InChI

InChI=1S/C9H8Br2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3

InChI Key

ISVXJOYTEWPLSM-UHFFFAOYSA-N

Formula

C9H8Br2O2

SMILES

CCC(=O)Oc1ccc(Br)cc1Br

Molecular Weight¹

307.97

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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	[188.56; 385.29]	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			3.11910e+01
Coefficient B			6.82520e-01
Coefficient C			-4.11120e-04
Coefficient D			8.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.56	J/mol×K	273.00	Calculated Property
Cp,gas	224.86	J/mol×K	353.78	Calculated Property
Cp,gas	256.93	J/mol×K	434.56	Calculated Property
Cp,gas	285.05	J/mol×K	515.33	Calculated Property
Cp,gas	309.48	J/mol×K	596.11	Calculated Property
Cp,gas	330.46	J/mol×K	676.89	Calculated Property
Cp,gas	348.28	J/mol×K	757.67	Calculated Property
Cp,gas	363.18	J/mol×K	838.44	Calculated Property
Cp,gas	375.43	J/mol×K	919.22	Calculated Property
Cp,gas	385.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011829; 0.0002114]	Pa×s	[404.58; 613.10]	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			-1.18020e+01
Coefficient B			2.04806e+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.			404.58
Temperature range, max.			613.10
η	0.0011829	Pa×s	404.58	Calculated Property
η	0.0008992	Pa×s	427.75	Calculated Property
η	0.0007031	Pa×s	450.92	Calculated Property
η	0.0005631	Pa×s	474.09	Calculated Property
η	0.0004605	Pa×s	497.26	Calculated Property
η	0.0003833	Pa×s	520.43	Calculated Property
η	0.0003241	Pa×s	543.60	Calculated Property
η	0.0002779	Pa×s	566.77	Calculated Property
η	0.0002411	Pa×s	589.93	Calculated Property
η	0.0002114	Pa×s	613.10	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dibromophenyl propionate.

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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