Chemical Properties of 2-Ethylhexyl 3,4-dimethylbenzoate

InChI

InChI=1S/C17H26O2/c1-5-7-8-15(6-2)12-19-17(18)16-10-9-13(3)14(4)11-16/h9-11,15H,5-8,12H2,1-4H3

InChI Key

NOJFKUNHDNKRPS-UHFFFAOYSA-N

Formula

C17H26O2

SMILES

CCCCC(CC)COC(=O)c1ccc(C)c(C)c1

Molecular Weight¹

262.39

• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[329.98; 780.41]	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			5.85500e+00
Coefficient B			1.37208e+00
Coefficient C			-7.06720e-04
Coefficient D			1.09200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.98	J/mol×K	273.00	Calculated Property
Cp,gas	407.65	J/mol×K	353.78	Calculated Property
Cp,gas	477.61	J/mol×K	434.56	Calculated Property
Cp,gas	540.20	J/mol×K	515.33	Calculated Property
Cp,gas	595.77	J/mol×K	596.11	Calculated Property
Cp,gas	644.66	J/mol×K	676.89	Calculated Property
Cp,gas	687.23	J/mol×K	757.67	Calculated Property
Cp,gas	723.82	J/mol×K	838.44	Calculated Property
Cp,gas	754.76	J/mol×K	919.22	Calculated Property
Cp,gas	780.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017465; 0.0001280]	Pa×s	[360.14; 615.32]	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			-1.26522e+01
Coefficient B			2.26960e+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.			360.14
Temperature range, max.			615.32
η	0.0017465	Pa×s	360.14	Calculated Property
η	0.0011026	Pa×s	388.49	Calculated Property
η	0.0007410	Pa×s	416.85	Calculated Property
η	0.0005239	Pa×s	445.20	Calculated Property
η	0.0003861	Pa×s	473.56	Calculated Property
η	0.0002945	Pa×s	501.91	Calculated Property
η	0.0002312	Pa×s	530.26	Calculated Property
η	0.0001861	Pa×s	558.62	Calculated Property
η	0.0001529	Pa×s	586.97	Calculated Property
η	0.0001280	Pa×s	615.32	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylhexyl 3,4-dimethylbenzoate.

Sources

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

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