Chemical Properties of 2(1H)Pyrimidinone,4-(dimethylamino)-1-methyl- (CAS 2228-27-5)

InChI

InChI=1S/C7H11N3O/c1-9(2)6-4-5-10(3)7(11)8-6/h4-5H,1-3H3

InChI Key

DHGBSOMRGXWRSE-UHFFFAOYSA-N

Formula

C7H11N3O

SMILES

CN(C)c1ccn(C)c(=O)n1

Molecular Weight¹

153.18

CAS

2228-27-5

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.5226		Relay (1.0) Calculated Property
ΔfG°	172.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-103.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.70 ± 0.10	eV	NIST
log10WS	-0.74		Relay (1.0) Calculated Property
logPoct/wat	-0.154		Crippen Calculated Property
McVol	121.540	ml/mol	McGowan Calculated Property
Pc	3900.82	kPa	Relay (1.0-beta) Calculated Property
Inp	[2035.00; 2035.00]
Inp	2035.00		NIST
Inp	2035.00		NIST
Tboil	562.06	K	Relay (1.0) Calculated Property
Tc	749.24	K	Relay (1.0) Calculated Property
Tfus	381.27	K	Relay (1.0) Calculated Property
Vc	0.466	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2(1H)Pyrimidinone,4-(dimethylamino)-1-methyl-.

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
• McGowan Method
• NIST Webbook

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