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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.69; 330.78]	J/mol×K	[438.90; 624.65]
Cp,gas	261.69	J/mol×K	438.90	Joback Calculated Property
Cp,gas	275.16	J/mol×K	469.86	Joback Calculated Property
Cp,gas	287.74	J/mol×K	500.82	Joback Calculated Property
Cp,gas	299.52	J/mol×K	531.78	Joback Calculated Property
Cp,gas	310.57	J/mol×K	562.74	Joback Calculated Property
Cp,gas	320.96	J/mol×K	593.69	Joback Calculated Property
Cp,gas	330.78	J/mol×K	624.65	Joback Calculated Property

Similar Compounds

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

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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