Chemical Properties of Menthol, methanesulfinate

Menthol, methanesulfinate

InChI
InChI=1S/C11H22O2S/c1-8(2)10-6-5-9(3)7-11(10)13-14(4)12/h8-11H,5-7H2,1-4H3
InChI Key
BLHQYXSQYFQSGP-UHFFFAOYSA-N
Formula
C11H22O2S
SMILES
CC1CCC(C(C)C)C(OS(C)=O)C1
Molecular Weight1
218.36
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Physical Properties

Property Value Unit Source
ΔfusH° 23.64 kJ/mol Joback Calculated Property
ΔvapH° 76.56 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.757 Crippen Calculated Property
McVol 183.080 ml/mol McGowan Calculated Property
Tboil 546.15 K Relay (1.0) Calculated Property
Tc 786.48 K Relay (1.0) Calculated Property
Tfus 269.09 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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 [253.59; 652.17] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.06000e+01
Coefficient B1.07467e+00
Coefficient C-3.84100e-04
Coefficient D-2.78000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 253.59 J/mol×K 273.00 Calculated Property
Cp,gas 320.29 J/mol×K 353.78 Calculated Property
Cp,gas 381.59 J/mol×K 434.56 Calculated Property
Cp,gas 437.40 J/mol×K 515.33 Calculated Property
Cp,gas 487.64 J/mol×K 596.11 Calculated Property
Cp,gas 532.22 J/mol×K 676.89 Calculated Property
Cp,gas 571.05 J/mol×K 757.67 Calculated Property
Cp,gas 604.05 J/mol×K 838.44 Calculated Property
Cp,gas 631.12 J/mol×K 919.22 Calculated Property
Cp,gas 652.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

3«alpha»,7«alpha»-Dihydroxy-5«beta»-cholestanoic acid, MeTMS. Silane, (5«beta»-pregnane-3«alpha»,11«beta»,20«beta»-triyltrioxy)tris[trimethyl-. 5-«alpha»-Pregnan-3-«alpha»,11-«beta»,20-«alpha»-triol, TMS. 5-«alpha»-Pregnan-3-«beta»,11-«beta»,20-«beta»-triol, TMS. Pregnan-3,17,20-triol, TMS. 5-«beta»-Pregnan-3-«alpha»,11-«beta»,20-«alpha»-triol, TMS. 5«alpha»-Pregnane-3«alpha»,11«beta»,20«alpha»-triol, EO-TMS. Pregnanetriol MO TMS. 5-«beta»-Pregnan-3-«beta»,11-«beta»,20-«alpha»-triol, TMS. 5«beta»-Pregnane-3«alpha»,11«beta»,20«alpha»-triol, EO-TMS. 5-«beta»-Pregnan-3-«alpha»,11-«beta»,20-«beta»-triol, TMS. 5-«alpha»-Pregnan-3-«alpha»,11-«beta»,20-«beta»-triol, TMS. 5-«alpha»-Pregnan-3-«beta»,11-«beta»,20-«alpha»-triol, TMS. 3,16,20-Tris[(trimethylsilyl)oxy]-5.alpha-pregnane, (3«beta»,16«alpha»,20«alpha»)-. Pregnan-3,16,20-triol, MeTMS.

Find more compounds similar to Menthol, methanesulfinate.

Sources

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