Chemical Properties of Methyl 3,5-di-t-butylsalicylate (CAS 15018-03-8)

InChI

InChI=1S/C16H24O3/c1-15(2,3)10-8-11(14(18)19-7)13(17)12(9-10)16(4,5)6/h8-9,17H,1-7H3

InChI Key

QSGONIQEKLJPGV-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

Molecular Weight¹

264.36

CAS

15018-03-8

Other Names

• Methyl 3,5-di-tert-butylsalicylate

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[323.05; 753.64]	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			-4.94200e+01
Coefficient B			1.67744e+00
Coefficient C			-1.24908e-03
Coefficient D			3.74700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.05	J/mol×K	273.00	Calculated Property
Cp,gas	404.28	J/mol×K	353.78	Calculated Property
Cp,gas	474.39	J/mol×K	434.56	Calculated Property
Cp,gas	534.58	J/mol×K	515.33	Calculated Property
Cp,gas	586.03	J/mol×K	596.11	Calculated Property
Cp,gas	629.93	J/mol×K	676.89	Calculated Property
Cp,gas	667.45	J/mol×K	757.67	Calculated Property
Cp,gas	699.79	J/mol×K	838.44	Calculated Property
Cp,gas	728.12	J/mol×K	919.22	Calculated Property
Cp,gas	753.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002252; 0.0000108]	Pa×s	[480.43; 671.12]	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			-1.90797e+01
Coefficient B			5.13148e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			480.43
Temperature range, max.			671.12
η	0.0002252	Pa×s	480.43	Calculated Property
η	0.0001434	Pa×s	501.62	Calculated Property
η	0.0000947	Pa×s	522.81	Calculated Property
η	0.0000646	Pa×s	543.99	Calculated Property
η	0.0000454	Pa×s	565.18	Calculated Property
η	0.0000327	Pa×s	586.37	Calculated Property
η	0.0000241	Pa×s	607.56	Calculated Property
η	0.0000181	Pa×s	628.74	Calculated Property
η	0.0000139	Pa×s	649.93	Calculated Property
η	0.0000108	Pa×s	671.12	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3,5-di-t-butylsalicylate.

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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