Chemical Properties of 2,4,4-TRIMETHYLBUT-2-ENOLIDE

2,4,4-TRIMETHYLBUT-2-ENOLIDE

InChI
InChI=1S/C7H10O2/c1-5-4-7(2,3)9-6(5)8/h4H,1-3H3
InChI Key
OAVLYQLCBORARJ-UHFFFAOYSA-N
Formula
C7H10O2
SMILES
CC1=CC(C)(C)OC1=O
Molecular Weight1
126.15
Other Names
  • 2,4,4-Trimethyl-2-butenolide
  • 3,5,5-trimethyl-2(5H)-furanone
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 10.93 kJ/mol Joback Calculated Property
logPoct/wat 1.268 Crippen Calculated Property
McVol 101.770 ml/mol McGowan Calculated Property
Ip [2074.00; 2074.00]   Show Hide
Ip 2074.00 NIST
Ip 2074.00 NIST
Ip 2074.00 NIST
Tfus 278.99 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [139.02; 341.30] 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-5.62200e+01
Coefficient B9.41360e-01
Coefficient C-9.35440e-04
Coefficient D3.91600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 139.02 J/mol×K 273.00 Calculated Property
Cp,gas 177.07 J/mol×K 353.78 Calculated Property
Cp,gas 208.34 J/mol×K 434.56 Calculated Property
Cp,gas 234.06 J/mol×K 515.33 Calculated Property
Cp,gas 255.48 J/mol×K 596.11 Calculated Property
Cp,gas 273.83 J/mol×K 676.89 Calculated Property
Cp,gas 290.34 J/mol×K 757.67 Calculated Property
Cp,gas 306.27 J/mol×K 838.44 Calculated Property
Cp,gas 322.84 J/mol×K 919.22 Calculated Property
Cp,gas 341.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Furanone, 2,5-dihydro-3,5-dimethyl. 2(5H)-Furanone, 5-chloromethyl-3-methyl. 2(5H)-Furanone, 5,5-dimethyl-. 2H-Pyran-2-one, 5,6-dihydro-3,5,5-trimethyl-. 1-Cyclobutenecarboxylic acid, 3,3-dimethyl ethyl ester. 3,4,5-trimethyl-2[5H]-furanon. ethyl 2-methyl-2(Z)-pentenoate. ethyl 2-methyl-2(E)-pentenoate. 3-Methylbutan-2-yl (E)-2-methylbut-2-enoate. 3-Isobutenyl-5-methyl-5-vinylbutyrolactone. 2-Hydroxy-2-methyl-but-3-enyl 2-methyl-2(Z)-butenoate. 2-hydroxy-2-methyl-3-butenyl Angelate. Hexanedioic acid, 2,4-dimethyl, dimethyl ester. 2,5-Furnadione, 3-(1-methylethyl)-. Linalyl 2-methylbutanoate.

Find more compounds similar to 2,4,4-TRIMETHYLBUT-2-ENOLIDE.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.