Chemical Properties of Stiripentol (CAS 49763-96-4)

Stiripentol

InChI
InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
InChI Key
IBLNKMRFIPWSOY-FNORWQNLSA-N
Formula
C14H18O3
SMILES
CC(C)(C)C(O)C=Cc1ccc2c(c1)OCO2
Molecular Weight1
234.29
CAS
49763-96-4
Other Names
  • 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-
  • 1-Penten-3-ol, 4,4-dimethyl-1-(3,4-methylenedioxyphenyl)-
  • 4,4-Dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol
  • BCX 2600
  • E(+) 4,4-dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol (stiripentol)
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° 31.65 kJ/mol Joback Calculated Property
log10WS -3.34 Relay (1.0) Calculated Property
logPoct/wat 2.836 Crippen Calculated Property
McVol 186.810 ml/mol McGowan Calculated Property
Tboil 594.32 K Relay (1.0) Calculated Property
Tfus 393.48 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [531.61; 600.59] J/mol×K [714.34; 929.69] Show Hide
Cp,gas 531.61 J/mol×K 714.34 Joback Calculated Property
Cp,gas 544.95 J/mol×K 750.23 Joback Calculated Property
Cp,gas 557.42 J/mol×K 786.12 Joback Calculated Property
Cp,gas 569.11 J/mol×K 822.02 Joback Calculated Property
Cp,gas 580.14 J/mol×K 857.91 Joback Calculated Property
Cp,gas 590.60 J/mol×K 893.80 Joback Calculated Property
Cp,gas 600.59 J/mol×K 929.69 Joback Calculated Property
η [0.0000545; 0.0022109] Pa×s [417.48; 714.34] Show Hide
η 0.0022109 Pa×s 417.48 Joback Calculated Property
η 0.0008602 Pa×s 466.96 Joback Calculated Property
η 0.0004011 Pa×s 516.43 Joback Calculated Property
η 0.0002137 Pa×s 565.91 Joback Calculated Property
η 0.0001260 Pa×s 615.39 Joback Calculated Property
η 0.0000803 Pa×s 664.86 Joback Calculated Property
η 0.0000545 Pa×s 714.34 Joback Calculated Property
ΔfusH 29.00 kJ/mol 348.20 NIST

Similar Compounds

(2E,4E,12E)-13-(Benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide. N-Isobutyl-11-(3,4-methylenedioxyphenyl)-2E,4E,10E-undecatrienoic amide. (E)-(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-(benzo[d][1,3]dioxol-5-yl)acrylate. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)non-8-en-1-one. (2E,4E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylnona-2,4,8-trienamide. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)hept-6-en-1-one. (E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undec-10-en-1-one. (E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one. (E)-7-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole. Paroxetine. Oestrone, 6-dehydro, TFA. 5«alpha»-Androstan-17«alpha»-methyl-4«beta»,17«beta»-diol-3,2c-pyrazol, TMS.

Find more compounds similar to Stiripentol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.