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

InChI

InChI=1S/C28H37BrO4/c1-2-3-4-5-6-7-8-9-10-13-20-32-27(30)25-17-11-12-18-26(25)28(31)33-21-19-23-15-14-16-24(29)22-23/h11-12,14-18,22H,2-10,13,19-21H2,1H3

InChI Key

CREXTQDOYKVFSI-UHFFFAOYSA-N

Formula

C28H37BrO4

SMILES

CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCc1cccc(Br)c1

Molecular Weight¹

517.50

• 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	[536.72; 1246.03]	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			-2.76700e+00
Coefficient B			2.31562e+00
Coefficient C			-1.30992e-03
Coefficient D			2.43100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	536.72	J/mol×K	273.00	Calculated Property
Cp,gas	663.26	J/mol×K	353.78	Calculated Property
Cp,gas	776.08	J/mol×K	434.56	Calculated Property
Cp,gas	875.95	J/mol×K	515.33	Calculated Property
Cp,gas	963.62	J/mol×K	596.11	Calculated Property
Cp,gas	1039.87	J/mol×K	676.89	Calculated Property
Cp,gas	1105.47	J/mol×K	757.67	Calculated Property
Cp,gas	1161.18	J/mol×K	838.44	Calculated Property
Cp,gas	1207.78	J/mol×K	919.22	Calculated Property
Cp,gas	1246.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001415; 0.0000180]	Pa×s	[627.66; 930.94]	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			-1.51970e+01
Coefficient B			3.97546e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			627.66
Temperature range, max.			930.94
η	0.0001415	Pa×s	627.66	Calculated Property
η	0.0001025	Pa×s	661.36	Calculated Property
η	0.0000766	Pa×s	695.06	Calculated Property
η	0.0000588	Pa×s	728.75	Calculated Property
η	0.0000462	Pa×s	762.45	Calculated Property
η	0.0000370	Pa×s	796.15	Calculated Property
η	0.0000302	Pa×s	829.85	Calculated Property
η	0.0000251	Pa×s	863.54	Calculated Property
η	0.0000211	Pa×s	897.24	Calculated Property
η	0.0000180	Pa×s	930.94	Calculated Property

Similar Compounds

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

Sources

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

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