Chemical Properties of 5-Allyl-5-(2-hydroxypropyl)barbituric acid

InChI

InChI=1S/C12H16O4/c1-3-4-12(7-8(2)13)10(15)5-9(14)6-11(12)16/h3,8,13H,1,4-7H2,2H3

InChI Key

KJXFGGZCXNUGME-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

C=CCC1(CC(C)O)C(=O)CC(=O)CC1=O

Molecular Weight¹

224.25

• 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).
• 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
ΔfG°	-350.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-666.63	kJ/mol	Joback Calculated Property
ΔfusH°	10.19	kJ/mol	Joback Calculated Property
ΔvapH°	69.95	kJ/mol	Joback Calculated Property
log10WS	-1.57		Crippen Calculated Property
logPoct/wat	0.821		Crippen Calculated Property
McVol	175.360	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[1837.00; 1837.00]
Inp	1837.00		NIST
Inp	1837.00		NIST
Tboil	785.63	K	Joback Calculated Property
Tc	1014.81	K	Joback Calculated Property
Tfus	505.00	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.64; 623.60]	J/mol×K	[785.63; 1014.81]
Cp,gas	540.64	J/mol×K	785.63	Joback Calculated Property
Cp,gas	556.18	J/mol×K	823.83	Joback Calculated Property
Cp,gas	570.97	J/mol×K	862.02	Joback Calculated Property
Cp,gas	585.07	J/mol×K	900.22	Joback Calculated Property
Cp,gas	598.51	J/mol×K	938.42	Joback Calculated Property
Cp,gas	611.34	J/mol×K	976.61	Joback Calculated Property
Cp,gas	623.60	J/mol×K	1014.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Allyl-5-(2-hydroxypropyl)barbituric acid.

Sources

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

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