Chemical Properties of 2E,4E-Hexadiene, adduct with 4-methyl-1,2,4-triazolin-3,5-dione

2E,4E-Hexadiene, adduct with 4-methyl-1,2,4-triazolin-3,5-dione

InChI
InChI=1S/C9H13N3O2/c1-6-4-5-7(2)12-9(14)10(3)8(13)11(6)12/h4-7H,1-3H3/t6-,7+
InChI Key
MJBCSCMWBFGHCJ-KNVOCYPGSA-N
Formula
C9H13N3O2
SMILES
CC1C=CC(C)n2c(=O)n(C)c(=O)n21
Molecular Weight1
195.22
Other Names
  • 2E,4E-Hexadiene + MTAD adduct
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Physical Properties

Property Value Unit Source
ΔfH°gas -259.75 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 0.040 Crippen Calculated Property
McVol 144.730 ml/mol McGowan Calculated Property
Inp 1580.00 NIST
Tboil 564.41 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

2E,4Z-Hexadiene, adduct with 4-methyl-1,2,4-triazolin-3,5-dione. 1,3-Hexadiene, adduct with 4-methyl-1,2,4-triazolin-3,5-dione. (9Z,11E)-Hexadeca-9,11-dien-1-ol, adduct with 4-methyl-3,5-dihydro-1,2,4-triazole-3,5-dione. 8E,10E-Dodecadien-1-yl acetate, adduct with 4-methyl-1,2,4-triazolin-3,5-dione. 9Z,11E-Tetradecadien-1-yl acetate, adduct with 4-methyl-1,2,4-triazolin-3,5-dione. 8E,10E-Dodecadienyl acetate + MTAD adduct. Tetrabenazine M (bis-desmethyl-HO-), diacetylated. Tetrabenazine M (bis-desmethyl-), monoacetylated. Tanshinone II-b. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. Dimetindene M (nor, OH), acetylated. Beclomethasone, tetra-TMS. (E)-Eruciflorine.

Find more compounds similar to 2E,4E-Hexadiene, adduct with 4-methyl-1,2,4-triazolin-3,5-dione.

Sources

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