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

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)-
• BCX 2600
• 4,4-Dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol
• E(+) 4,4-dimethyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol (stiripentol)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.61; 600.59]	J/mol×K	[714.34; 929.69]
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]
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

Find more compounds similar to Stiripentol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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