Chemical Properties of (S)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid (CAS 5988-19-2)

InChI

InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m1/s1

InChI Key

UFIVEPVSAGBUSI-UWTATZPHSA-N

Formula

C5H6N2O4

SMILES

O=C(O)C1CC(O)=NC(O)=N1

Molecular Weight¹

158.11

CAS

5988-19-2

Other Names

• 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid- (L)-
• Orotic acid, dihydro-, L-
• L-5,6-Dihydroorotic acid

• 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).
• 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	[316.13; 346.66]	J/mol×K	[779.44; 982.94]
Cp,gas	316.13	J/mol×K	779.44	Joback Calculated Property
Cp,gas	323.01	J/mol×K	813.36	Joback Calculated Property
Cp,gas	329.19	J/mol×K	847.27	Joback Calculated Property
Cp,gas	334.67	J/mol×K	881.19	Joback Calculated Property
Cp,gas	339.42	J/mol×K	915.11	Joback Calculated Property
Cp,gas	343.43	J/mol×K	949.02	Joback Calculated Property
Cp,gas	346.66	J/mol×K	982.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to (S)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid.

Sources

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

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