Chemical Properties of Sebacic acid, 4-bromophenyl isobutyl ester

InChI

InChI=1S/C20H29BrO4/c1-16(2)15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(21)12-14-18/h11-14,16H,3-10,15H2,1-2H3

InChI Key

FOJSGXBBOCGGKL-UHFFFAOYSA-N

Formula

C20H29BrO4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

413.35

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[421.40; 955.41]	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			2.24290e+01
Coefficient B			1.69994e+00
Coefficient C			-9.13760e-04
Coefficient D			1.46800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.40	J/mol×K	273.00	Calculated Property
Cp,gas	515.97	J/mol×K	353.78	Calculated Property
Cp,gas	600.64	J/mol×K	434.56	Calculated Property
Cp,gas	675.89	J/mol×K	515.33	Calculated Property
Cp,gas	742.18	J/mol×K	596.11	Calculated Property
Cp,gas	799.96	J/mol×K	676.89	Calculated Property
Cp,gas	849.71	J/mol×K	757.67	Calculated Property
Cp,gas	891.90	J/mol×K	838.44	Calculated Property
Cp,gas	926.97	J/mol×K	919.22	Calculated Property
Cp,gas	955.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006142; 0.0000537]	Pa×s	[483.56; 755.14]	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			-1.41737e+01
Coefficient B			3.27784e+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.			483.56
Temperature range, max.			755.14
η	0.0006142	Pa×s	483.56	Calculated Property
η	0.0004125	Pa×s	513.74	Calculated Property
η	0.0002895	Pa×s	543.91	Calculated Property
η	0.0002109	Pa×s	574.09	Calculated Property
η	0.0001586	Pa×s	604.26	Calculated Property
η	0.0001225	Pa×s	634.44	Calculated Property
η	0.0000969	Pa×s	664.61	Calculated Property
η	0.0000782	Pa×s	694.79	Calculated Property
η	0.0000643	Pa×s	724.97	Calculated Property
η	0.0000537	Pa×s	755.14	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-bromophenyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.