Chemical Properties of 2,4(1H,3H)-Pyrimidinedione, dihydro- (CAS 504-07-4)

InChI

InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)

InChI Key

OIVLITBTBDPEFK-UHFFFAOYSA-N

Formula

C4H6N2O2

SMILES

O=C1CCNC(=O)N1

Molecular Weight¹

114.10

CAS

504-07-4

Other Names

• 5,6-Dihydro-2,4-dihydroxypyrimidine
• 5,6-Dihydrouracil
• Dihydro-2,4(1H,3H)-pyrimidinedione
• Dihydro-pyrimidine-2,4-dione
• Dihydrouracil
• Hydrouracil

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-355.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.08	kJ/mol	Joback Calculated Property
IE	[10.00; 10.00]	eV
IE	10.00 ± 0.10	eV	NIST
IE	10.00	eV	NIST
log10WS	0.01		Relay (1.0) Calculated Property
logPoct/wat	-0.784		Crippen Calculated Property
McVol	79.460	ml/mol	McGowan Calculated Property
Tboil	555.58	K	Relay (1.0) Calculated Property
Tfus	450.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.91; 264.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.44100e+01
Coefficient B			1.69000e-01
Coefficient C			2.79000e-04
Coefficient D			-2.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.91	J/mol×K	273.00	Calculated Property
Cp,gas	119.48	J/mol×K	353.78	Calculated Property
Cp,gas	142.68	J/mol×K	434.56	Calculated Property
Cp,gas	165.82	J/mol×K	515.33	Calculated Property
Cp,gas	188.20	J/mol×K	596.11	Calculated Property
Cp,gas	209.15	J/mol×K	676.89	Calculated Property
Cp,gas	227.97	J/mol×K	757.67	Calculated Property
Cp,gas	243.98	J/mol×K	838.44	Calculated Property
Cp,gas	256.49	J/mol×K	919.22	Calculated Property
Cp,gas	264.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, dihydro-.

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
• Crippen Method
• Joback Method
• 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.
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