Chemical Properties of 5-Isopropyl-2-methylphenyl 3,5,5-trimethylhexanoate

InChI

InChI=1S/C19H30O2/c1-13(2)16-9-8-15(4)17(11-16)21-18(20)10-14(3)12-19(5,6)7/h8-9,11,13-14H,10,12H2,1-7H3

InChI Key

RLEOHAZINPWGHO-UHFFFAOYSA-N

Formula

C19H30O2

SMILES

Cc1ccc(C(C)C)cc1OC(=O)CC(C)CC(C)(C)C

Molecular Weight¹

290.45

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[370.64; 885.60]	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			-2.21180e+01
Coefficient B			1.69384e+00
Coefficient C			-9.90520e-04
Coefficient D			2.04400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.64	J/mol×K	273.00	Calculated Property
Cp,gas	462.20	J/mol×K	353.78	Calculated Property
Cp,gas	543.67	J/mol×K	434.56	Calculated Property
Cp,gas	615.70	J/mol×K	515.33	Calculated Property
Cp,gas	678.92	J/mol×K	596.11	Calculated Property
Cp,gas	733.98	J/mol×K	676.89	Calculated Property
Cp,gas	781.53	J/mol×K	757.67	Calculated Property
Cp,gas	822.22	J/mol×K	838.44	Calculated Property
Cp,gas	856.70	J/mol×K	919.22	Calculated Property
Cp,gas	885.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019828; 0.0000819]	Pa×s	[370.10; 650.40]	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			-1.36166e+01
Coefficient B			2.73628e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			370.10
Temperature range, max.			650.40
η	0.0019828	Pa×s	370.10	Calculated Property
η	0.0011170	Pa×s	401.24	Calculated Property
η	0.0006835	Pa×s	432.39	Calculated Property
η	0.0004468	Pa×s	463.53	Calculated Property
η	0.0003081	Pa×s	494.68	Calculated Property
η	0.0002220	Pa×s	525.82	Calculated Property
η	0.0001660	Pa×s	556.97	Calculated Property
η	0.0001279	Pa×s	588.11	Calculated Property
η	0.0001012	Pa×s	619.26	Calculated Property
η	0.0000819	Pa×s	650.40	Calculated Property

Similar Compounds

Find more compounds similar to 5-Isopropyl-2-methylphenyl 3,5,5-trimethylhexanoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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