Chemical Properties of Barbituric acid, 5-propyl-5-(2-methylpropyl)

InChI

InChI=1S/C11H18N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChI Key

JKOZKFJTOIXANY-UHFFFAOYSA-N

Formula

C11H18N2O3

SMILES

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

Molecular Weight¹

226.27

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.6401		Relay (... Calculated Property
ΔfG°	-134.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-641.28	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.97	kJ/mol	Joback Calculated Property
ΔvapH°	87.53	kJ/mol	Relay (... Calculated Property
IE	9.50	eV	Relay (... Calculated Property
log10WS	-2.67		Relay (... Calculated Property
logPoct/wat	1.185		Crippen Calculated Property
McVol	179.660	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[1693.00; 1693.00]
Inp	1693.00		NIST
Inp	1693.00		NIST
Tboil	575.99	K	Relay (... Calculated Property
Tc	820.77	K	Relay (... Calculated Property
Tfus	431.57	K	Relay (... Calculated Property
Vc	0.618	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.25; 647.06]	J/mol×K	[770.99; 1023.28]
Cp,gas	550.25	J/mol×K	770.99	Joback Calculated Property
Cp,gas	568.87	J/mol×K	813.04	Joback Calculated Property
Cp,gas	586.48	J/mol×K	855.09	Joback Calculated Property
Cp,gas	603.10	J/mol×K	897.13	Joback Calculated Property
Cp,gas	618.72	J/mol×K	939.18	Joback Calculated Property
Cp,gas	633.37	J/mol×K	981.23	Joback Calculated Property
Cp,gas	647.06	J/mol×K	1023.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Barbituric acid, 5-propyl-5-(2-methylpropyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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