Chemical Properties of Phthalic acid, 2-(3-bromophenyl)ethyl isobutyl ester

InChI

InChI=1S/C20H21BrO4/c1-14(2)13-25-20(23)18-9-4-3-8-17(18)19(22)24-11-10-15-6-5-7-16(21)12-15/h3-9,12,14H,10-11,13H2,1-2H3

InChI Key

ARALGHDGXPQMMM-UHFFFAOYSA-N

Formula

C20H21BrO4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)OCCc1cccc(Br)c1

Molecular Weight¹

405.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• 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 Volume, 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	[366.69; 833.84]	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			2.82300e+00
Coefficient B			1.56154e+00
Coefficient C			-8.77920e-04
Coefficient D			1.47400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.69	J/mol×K	273.00	Calculated Property
Cp,gas	451.91	J/mol×K	353.78	Calculated Property
Cp,gas	527.71	J/mol×K	434.56	Calculated Property
Cp,gas	594.56	J/mol×K	515.33	Calculated Property
Cp,gas	652.93	J/mol×K	596.11	Calculated Property
Cp,gas	703.28	J/mol×K	676.89	Calculated Property
Cp,gas	746.08	J/mol×K	757.67	Calculated Property
Cp,gas	781.80	J/mol×K	838.44	Calculated Property
Cp,gas	810.90	J/mol×K	919.22	Calculated Property
Cp,gas	833.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004333; 0.0000510]	Pa×s	[522.50; 795.18]	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			-1.39834e+01
Coefficient B			3.26000e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			522.50
Temperature range, max.			795.18
η	0.0004333	Pa×s	522.50	Calculated Property
η	0.0003078	Pa×s	552.80	Calculated Property
η	0.0002265	Pa×s	583.10	Calculated Property
η	0.0001719	Pa×s	613.39	Calculated Property
η	0.0001338	Pa×s	643.69	Calculated Property
η	0.0001066	Pa×s	673.99	Calculated Property
η	0.0000866	Pa×s	704.29	Calculated Property
η	0.0000715	Pa×s	734.58	Calculated Property
η	0.0000600	Pa×s	764.88	Calculated Property
η	0.0000510	Pa×s	795.18	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(3-bromophenyl)ethyl isobutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.