Chemical Properties of 4-Bromobutyric acid, 4-biphenyl ester

InChI

InChI=1S/C16H15BrO2/c17-12-4-7-16(18)19-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2

InChI Key

SCOAEOMMVGBVGS-UHFFFAOYSA-N

Formula

C16H15BrO2

SMILES

O=C(CCCBr)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

319.19

• 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).
• 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, 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	[263.26; 621.87]	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			-3.15670e+01
Coefficient B			1.28990e+00
Coefficient C			-8.18760e-04
Coefficient D			1.82300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.26	J/mol×K	273.00	Calculated Property
Cp,gas	330.37	J/mol×K	353.78	Calculated Property
Cp,gas	389.31	J/mol×K	434.56	Calculated Property
Cp,gas	440.67	J/mol×K	515.33	Calculated Property
Cp,gas	485.03	J/mol×K	596.11	Calculated Property
Cp,gas	522.95	J/mol×K	676.89	Calculated Property
Cp,gas	555.02	J/mol×K	757.67	Calculated Property
Cp,gas	581.81	J/mol×K	838.44	Calculated Property
Cp,gas	603.91	J/mol×K	919.22	Calculated Property
Cp,gas	621.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010183; 0.0001229]	Pa×s	[437.57; 693.47]	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			-1.26192e+01
Coefficient B			2.50708e+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.			437.57
Temperature range, max.			693.47
η	0.0010183	Pa×s	437.57	Calculated Property
η	0.0007179	Pa×s	466.00	Calculated Property
η	0.0005268	Pa×s	494.44	Calculated Property
η	0.0003999	Pa×s	522.87	Calculated Property
η	0.0003123	Pa×s	551.30	Calculated Property
η	0.0002498	Pa×s	579.73	Calculated Property
η	0.0002041	Pa×s	608.17	Calculated Property
η	0.0001698	Pa×s	636.60	Calculated Property
η	0.0001435	Pa×s	665.03	Calculated Property
η	0.0001229	Pa×s	693.47	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutyric acid, 4-biphenyl 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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