Chemical Properties of Menthyl salicylate (CAS 89-46-3)

InChI

InChI=1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3/t12-,13+,16-/m1/s1

InChI Key

SJOXEWUZWQYCGL-DVOMOZLQSA-N

Formula

C17H24O3

SMILES

CC1CCC(C(C)C)C(OC(=O)c2ccccc2O)C1

Molecular Weight¹

276.37

CAS

89-46-3

Other Names

• Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[308.18; 807.31]	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			-8.53900e+01
Coefficient B			1.71476e+00
Coefficient C			-1.06736e-03
Coefficient D			2.45300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.18	J/mol×K	273.00	Calculated Property
Cp,gas	398.53	J/mol×K	353.78	Calculated Property
Cp,gas	478.34	J/mol×K	434.56	Calculated Property
Cp,gas	548.40	J/mol×K	515.33	Calculated Property
Cp,gas	609.47	J/mol×K	596.11	Calculated Property
Cp,gas	662.35	J/mol×K	676.89	Calculated Property
Cp,gas	707.79	J/mol×K	757.67	Calculated Property
Cp,gas	746.58	J/mol×K	838.44	Calculated Property
Cp,gas	779.50	J/mol×K	919.22	Calculated Property
Cp,gas	807.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006567; 0.0000170]	Pa×s	[445.72; 697.34]	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			-1.74552e+01
Coefficient B			4.51379e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			445.72
Temperature range, max.			697.34
η	0.0006567	Pa×s	445.72	Calculated Property
η	0.0003612	Pa×s	473.68	Calculated Property
η	0.0002124	Pa×s	501.64	Calculated Property
η	0.0001321	Pa×s	529.59	Calculated Property
η	0.0000861	Pa×s	557.55	Calculated Property
η	0.0000585	Pa×s	585.51	Calculated Property
η	0.0000412	Pa×s	613.47	Calculated Property
η	0.0000299	Pa×s	641.42	Calculated Property
η	0.0000223	Pa×s	669.38	Calculated Property
η	0.0000170	Pa×s	697.34	Calculated Property

Similar Compounds

Find more compounds similar to Menthyl salicylate.

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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