Chemical Properties of 3-Hydroxy-2,2,4-trimethyl-3-pentenoic acid «beta»-lactone (CAS 3173-79-3)

3-Hydroxy-2,2,4-trimethyl-3-pentenoic acid «beta»-lactone

InChI
InChI=1S/C8H12O2/c1-5(2)6-8(3,4)7(9)10-6/h1-4H3
InChI Key
OKAAPXFKYOTAEN-UHFFFAOYSA-N
Formula
C8H12O2
SMILES
CC(C)=C1OC(=O)C1(C)C
Molecular Weight1
140.18
CAS
3173-79-3
Other Names
  • 2,2,4-Trimethyl-3-hydroxy-3-pentenoic acid «beta»-lactone
  • 2,2,4-Trimethylpent-3-en-3-olide
  • 2,2-dimethyl-3-isopropyliden-«beta»-propiolactone
  • 2-Oxetanone, 3,3-dimethyl-4-(1-methylethylidene)-
  • 2-Oxetanone, 4-isopropylidene-3,3-dimethyl-
  • 3,3-Dimethyl-4-(1-methylethylidene)-2-oxetanone
  • 3-Hydroxy-2,4,4-trimethyl-3-pentenoic acid «beta»-lactone
  • 4-Isopropylidene-3,3-dimethyl-2-oxetanone
  • Dimethylketene dimer
  • Dimethylketene-«beta»-lactone dimer
  • NSC 74312
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Physical Properties

Property Value Unit Source
ΔfusH° 13.79 kJ/mol Joback Calculated Property
logPoct/wat 1.863 Crippen Calculated Property
McVol 115.860 ml/mol McGowan Calculated Property
Tboil 443.20 K NIST

Cheméo can also estimate 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 [246.65; 307.32] J/mol×K [450.09; 646.83] Show Hide
Cp,gas 246.65 J/mol×K 450.09 Joback Calculated Property
Cp,gas 258.72 J/mol×K 482.88 Joback Calculated Property
Cp,gas 269.89 J/mol×K 515.67 Joback Calculated Property
Cp,gas 280.23 J/mol×K 548.46 Joback Calculated Property
Cp,gas 289.85 J/mol×K 581.25 Joback Calculated Property
Cp,gas 298.85 J/mol×K 614.04 Joback Calculated Property
Cp,gas 307.32 J/mol×K 646.83 Joback Calculated Property

Similar Compounds

Tasmanone. 2-methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione. 3-hydroxy-5-ethyl-4-methyl-3(2H)-furanone. Lateriticone. 3-Isobutenyl-5-methyl-5-vinylbutyrolactone. 2H-Pyran-2-one, 5,6-dihydro-3,5,5-trimethyl-. 3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(3H)-one. 5-hydroxy-4,6,6-trimethyl-4-cyclohexene-1,3-dione. dihydrobovolide. Naphthalene, 1,2,3,4,4a,5,6,7-octahydro-8-methoxy-. 2-(2-Butenylidene)-3,3-dimethyl-5-(2-oxopropyl)tetrahydrofuran, diastereomer 2. 2-(2-Butenylidene)-3,3-dimethyl-5-(2-oxopropyl)tetrahydrofuran, diastereomer 1. 2-Methoxy-3,3-dimethylspirovetiva-1,4(15),7(11)-triene. 2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester. 2,11-Dioxabicyclo[4.4.1]undeca-3,5-dien-10-one, 1,3,7,7-tetramethyl-.

Find more compounds similar to 3-Hydroxy-2,2,4-trimethyl-3-pentenoic acid «beta»-lactone.

Sources

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