Chemical Properties of Dipropylbarbital

InChI

InChI=1S/C10H16N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)

InChI Key

RCOUWKSZRXJXLA-UHFFFAOYSA-N

Formula

C10H16N2O3

SMILES

CCCC1(CCC)C(=O)NC(=O)NC1=O

Molecular Weight¹

212.25

Other Names

• 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dipropyl-
• 5,5-Dipropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• 5,5-Dipropylbarbituric acid
• 5,5-dipropyl-1,3-diazinane-2,4,6-trione
• Dipropylbarbituric acid
• Proponal
• Propylbarbital
• di-n-Propylbarbituric acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.90	kJ/mol	Joback Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	[-2.53; -2.53]
log10WS	-2.53		Aq. Solubility Prediction
log10WS	-2.53		Rytting (2005)
logPoct/wat	0.939		Crippen Calculated Property
McVol	165.570	ml/mol	McGowan Calculated Property
Inp	[1650.00; 1650.00]
Inp	1650.00		NIST
Inp	1650.00		NIST
Tfus	456.05	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 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	[494.44; 587.91]	J/mol×K	[748.55; 1001.43]
Cp,gas	494.44	J/mol×K	748.55	Joback Calculated Property
Cp,gas	512.28	J/mol×K	790.70	Joback Calculated Property
Cp,gas	529.20	J/mol×K	832.84	Joback Calculated Property
Cp,gas	545.22	J/mol×K	874.99	Joback Calculated Property
Cp,gas	560.34	J/mol×K	917.14	Joback Calculated Property
Cp,gas	574.57	J/mol×K	959.29	Joback Calculated Property
Cp,gas	587.91	J/mol×K	1001.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dipropylbarbital.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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.