Chemical Properties of Hexanoic acid, 3-hydroxy-2,2-dimethyl-, beta-lactone (CAS 90112-82-6)

Hexanoic acid, 3-hydroxy-2,2-dimethyl-, beta-lactone

InChI
InChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10-6/h6H,4-5H2,1-3H3
InChI Key
HTONSGUIJYZFOJ-UHFFFAOYSA-N
Formula
C8H14O2
SMILES
CCCC1OC(=O)C1(C)C
Molecular Weight1
142.20
CAS
90112-82-6
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Physical Properties

Property Value Unit Source
ΔfusH° 15.85 kJ/mol Joback Calculated Property
logPoct/wat 1.738 Crippen Calculated Property
McVol 120.160 ml/mol McGowan Calculated Property

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 [171.32; 432.11] 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-6.81480e+01
Coefficient B1.13496e+00
Coefficient C-1.06060e-03
Coefficient D4.25900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 171.32 J/mol×K 273.00 Calculated Property
Cp,gas 219.49 J/mol×K 353.78 Calculated Property
Cp,gas 259.72 J/mol×K 434.56 Calculated Property
Cp,gas 293.36 J/mol×K 515.33 Calculated Property
Cp,gas 321.75 J/mol×K 596.11 Calculated Property
Cp,gas 346.24 J/mol×K 676.89 Calculated Property
Cp,gas 368.17 J/mol×K 757.67 Calculated Property
Cp,gas 388.90 J/mol×K 838.44 Calculated Property
Cp,gas 409.76 J/mol×K 919.22 Calculated Property
Cp,gas 432.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Heptanoic acid, 2,2,4-trimethyl-3-hydroxy-, beta-lactone. Valeric acid, 3-hydroxy-2,2,4-trimethyl, beta-lactone. Diethylmalonic acid, 2-methylhex-3-yl 4-methylpent-2-yl ester. cis-«beta»-Methyloctalactone. Glutaric acid, 4,4-dimethylpent-2-yl 2-methylhex-3-yl ester. Isobornyl laureate. Isobornyl caprate. Bornyl hexanoate. isobornyl2-methylbutanoate. Bornyl 2-methylbutanoate. Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Diethylmalonic acid, 2-methylhex-3-yl 2-octyl ester. (E)-Whiskey lactone. (Z)-whiskey lactone. Glutaric acid, 2,2-dimethylpent-3-yl 2-methylhex-3-yl ester.

Find more compounds similar to Hexanoic acid, 3-hydroxy-2,2-dimethyl-, beta-lactone.

Sources

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