Chemical Properties of 2-Ethylhexyl 4-tert-butylbenzoate

InChI

InChI=1S/C19H30O2/c1-6-8-9-15(7-2)14-21-18(20)16-10-12-17(13-11-16)19(3,4)5/h10-13,15H,6-9,14H2,1-5H3

InChI Key

SBTSOUSSYNGQHT-UHFFFAOYSA-N

Formula

C19H30O2

SMILES

CCCCC(CC)COC(=O)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

290.45

• ω : Acentric Factor.
• 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).
• 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 Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[368.40; 888.11]	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			-3.47350e+01
Coefficient B			1.74740e+00
Coefficient C			-1.05436e-03
Coefficient D			2.29800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	368.40	J/mol×K	273.00	Calculated Property
Cp,gas	461.67	J/mol×K	353.78	Calculated Property
Cp,gas	544.36	J/mol×K	434.56	Calculated Property
Cp,gas	617.20	J/mol×K	515.33	Calculated Property
Cp,gas	680.92	J/mol×K	596.11	Calculated Property
Cp,gas	736.24	J/mol×K	676.89	Calculated Property
Cp,gas	783.90	J/mol×K	757.67	Calculated Property
Cp,gas	824.61	J/mol×K	838.44	Calculated Property
Cp,gas	859.10	J/mol×K	919.22	Calculated Property
Cp,gas	888.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020368; 0.0000905]	Pa×s	[372.58; 644.47]	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			-1.35766e+01
Coefficient B			2.74972e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			372.58
Temperature range, max.			644.47
η	0.0020368	Pa×s	372.58	Calculated Property
η	0.0011710	Pa×s	402.79	Calculated Property
η	0.0007273	Pa×s	433.00	Calculated Property
η	0.0004807	Pa×s	463.21	Calculated Property
η	0.0003342	Pa×s	493.42	Calculated Property
η	0.0002423	Pa×s	523.63	Calculated Property
η	0.0001820	Pa×s	553.84	Calculated Property
η	0.0001407	Pa×s	584.05	Calculated Property
η	0.0001117	Pa×s	614.26	Calculated Property
η	0.0000905	Pa×s	644.47	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylhexyl 4-tert-butylbenzoate.

Sources

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

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