Chemical Properties of 2-Bromopropionic acid, 2-naphthyl ester

InChI

InChI=1S/C13H11BrO2/c1-9(14)13(15)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3

InChI Key

RBWIQIGQLKDLAM-UHFFFAOYSA-N

Formula

C13H11BrO2

SMILES

CC(Br)C(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

279.13

• 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).
• 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_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 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	[215.57; 495.38]	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			-2.80600e+01
Coefficient B			1.08602e+00
Coefficient C			-7.64280e-04
Coefficient D			2.01700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.57	J/mol×K	273.00	Calculated Property
Cp,gas	269.42	J/mol×K	353.78	Calculated Property
Cp,gas	316.10	J/mol×K	434.56	Calculated Property
Cp,gas	356.24	J/mol×K	515.33	Calculated Property
Cp,gas	390.47	J/mol×K	596.11	Calculated Property
Cp,gas	419.43	J/mol×K	676.89	Calculated Property
Cp,gas	443.77	J/mol×K	757.67	Calculated Property
Cp,gas	464.11	J/mol×K	838.44	Calculated Property
Cp,gas	481.10	J/mol×K	919.22	Calculated Property
Cp,gas	495.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016697; 0.0002548]	Pa×s	[395.04; 641.79]	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			-1.12843e+01
Coefficient B			1.93144e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			395.04
Temperature range, max.			641.79
η	0.0016697	Pa×s	395.04	Calculated Property
η	0.0012158	Pa×s	422.46	Calculated Property
η	0.0009201	Pa×s	449.87	Calculated Property
η	0.0007190	Pa×s	477.29	Calculated Property
η	0.0005771	Pa×s	504.71	Calculated Property
η	0.0004738	Pa×s	532.12	Calculated Property
η	0.0003966	Pa×s	559.54	Calculated Property
η	0.0003376	Pa×s	586.96	Calculated Property
η	0.0002915	Pa×s	614.38	Calculated Property
η	0.0002548	Pa×s	641.79	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromopropionic acid, 2-naphthyl 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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