Chemical Properties of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester (CAS 3385-34-0)

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester

InChI
InChI=1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3
InChI Key
FBPWNVQUVXSXKS-UHFFFAOYSA-N
Formula
C10H12O4
SMILES
CCOC(=O)c1c(C)cc(=O)oc1C
Molecular Weight1
196.20
CAS
3385-34-0
Other Names
  • Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
  • Ethyl 4,6-dimethyl-2-pyrone-5-carboxylate
  • Ethyl 4,6-dimethyl-5-coumalate
  • Ethyl isodehydroacetate
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Physical Properties

Property Value Unit Source
ΔfH°gas -658.80 kJ/mol Relay (1.0) Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
log10WS -2.33 Relay (1.0) Calculated Property
logPoct/wat 1.433 Crippen Calculated Property
McVol 147.180 ml/mol McGowan Calculated Property
Tboil 565.70 K NIST
Tfus 309.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 410.00 ± 3.00 K 0.05 NIST

Similar Compounds

3-Bromo-5-carbethoxy-4,6-dimethyl-2-pyrone. Indomethacin, pentyl ester. Uridine, 2',3'-O-(1-methylethylidene)-. Aflatoxin B1. Indomethacin, isobutyl ester. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Thymidine, 3',5'-bis(trifluoroacetate). Dihydrojatamansin. Uridine, tris(trifluoroacetate). Epibaptifoline. risperidone. cefuroxime acid. ethyl eburnamenine-14-carboxylate. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-.

Find more compounds similar to 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester.

Sources

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