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

InChI

InChI=1S/C20H21BrO4/c1-2-3-13-24-19(22)16-9-5-6-10-17(16)20(23)25-14-12-15-8-4-7-11-18(15)21/h4-11H,2-3,12-14H2,1H3

InChI Key

NDLJLWCOTWJAHP-UHFFFAOYSA-N

Formula

C20H21BrO4

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCCc1ccccc1Br

Molecular Weight¹

405.28

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[367.01; 833.30]	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			4.50500e+00
Coefficient B			1.55562e+00
Coefficient C			-8.74720e-04
Coefficient D			1.47900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.01	J/mol×K	273.00	Calculated Property
Cp,gas	451.92	J/mol×K	353.78	Calculated Property
Cp,gas	527.46	J/mol×K	434.56	Calculated Property
Cp,gas	594.11	J/mol×K	515.33	Calculated Property
Cp,gas	652.33	J/mol×K	596.11	Calculated Property
Cp,gas	702.58	J/mol×K	676.89	Calculated Property
Cp,gas	745.33	J/mol×K	757.67	Calculated Property
Cp,gas	781.06	J/mol×K	838.44	Calculated Property
Cp,gas	810.23	J/mol×K	919.22	Calculated Property
Cp,gas	833.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003879; 0.0000561]	Pa×s	[537.50; 793.45]	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			-1.38494e+01
Coefficient B			3.22218e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			537.50
Temperature range, max.			793.45
η	0.0003879	Pa×s	537.50	Calculated Property
η	0.0002870	Pa×s	565.94	Calculated Property
η	0.0002186	Pa×s	594.38	Calculated Property
η	0.0001707	Pa×s	622.82	Calculated Property
η	0.0001362	Pa×s	651.25	Calculated Property
η	0.0001107	Pa×s	679.69	Calculated Property
η	0.0000915	Pa×s	708.13	Calculated Property
η	0.0000768	Pa×s	736.57	Calculated Property
η	0.0000652	Pa×s	765.01	Calculated Property
η	0.0000561	Pa×s	793.45	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(2-bromophenyl)ethyl butyl 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.