Chemical Properties of Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester

InChI

InChI=1S/C12H15BrO3/c1-2-16-12(14)11(13)9-15-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

InChI Key

FPEMNHDCFKTXBC-UHFFFAOYSA-N

Formula

C12H15BrO3

SMILES

CCOC(=O)C(Br)COCc1ccccc1

Molecular Weight¹

287.15

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[248.20; 556.11]	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			1.54930e+01
Coefficient B			9.91020e-01
Coefficient C			-5.29200e-04
Coefficient D			7.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.20	J/mol×K	273.00	Calculated Property
Cp,gas	303.35	J/mol×K	353.78	Calculated Property
Cp,gas	352.68	J/mol×K	434.56	Calculated Property
Cp,gas	396.44	J/mol×K	515.33	Calculated Property
Cp,gas	434.89	J/mol×K	596.11	Calculated Property
Cp,gas	468.27	J/mol×K	676.89	Calculated Property
Cp,gas	496.84	J/mol×K	757.67	Calculated Property
Cp,gas	520.83	J/mol×K	838.44	Calculated Property
Cp,gas	540.51	J/mol×K	919.22	Calculated Property
Cp,gas	556.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019089; 0.0001439]	Pa×s	[360.78; 605.45]	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			-1.26590e+01
Coefficient B			2.30819e+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.			360.78
Temperature range, max.			605.45
η	0.0019089	Pa×s	360.78	Calculated Property
η	0.0012193	Pa×s	387.97	Calculated Property
η	0.0008258	Pa×s	415.15	Calculated Property
η	0.0005868	Pa×s	442.34	Calculated Property
η	0.0004338	Pa×s	469.52	Calculated Property
η	0.0003315	Pa×s	496.71	Calculated Property
η	0.0002604	Pa×s	523.89	Calculated Property
η	0.0002096	Pa×s	551.08	Calculated Property
η	0.0001721	Pa×s	578.27	Calculated Property
η	0.0001439	Pa×s	605.45	Calculated Property

Similar Compounds

Find more compounds similar to Propionic acid, 3-(benzyloxy)-2-bromo-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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