Chemical Properties of Ethirimol (CAS 23947-60-6)

InChI

InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)

InChI Key

BBXXLROWFHWFQY-UHFFFAOYSA-N

Formula

C11H19N3O

SMILES

CCCCc1c(C)[nH]c(NCC)nc1=O

Molecular Weight¹

209.29

CAS

23947-60-6

Other Names

• 2-Ethylamino-4-methyl-5-n-butyl-6-hydroxypyrimidine
• 4(1H)-Pyrimidinone, 5-butyl-2-(ethylamino)-6-methyl-
• 4(3H)-Pyrimidinone, 5-butyl-2-(ethylamino)-6-methyl-
• 5-Butyl-2-(ethylamino)-4-hydroxy-6-methylpyrimidine
• 5-Butyl-2-(ethylamino)-6-methyl-4(1H)-pyrimidinone
• 5-Butyl-2-ethylamino-6-methylpyrimidin-4-ol
• 5-n-Butyl-2-ethylamino-4-hydroxy-6-methylpyrimidine
• Ethirimal
• Ethrimiol
• Ethyrimol
• Milgo
• Milgo E
• Milstem
• Milstem seed dressing
• NSC 263491
• New milstem
• PP 149

• 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_fusH : Enthalpy of fusion at a given temperature (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

Property	Value	Unit	Source
ω	0.6772		Relay (1.0) Calculated Property
ΔfG°	146.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-225.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.94	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	[-3.03; -3.02]
log10WS	-3.02		Aq. Solubility Prediction
log10WS	-3.03		Estimated Solubility
logPoct/wat	1.371		Crippen Calculated Property
McVol	177.900	ml/mol	McGowan Calculated Property
Pc	2548.11	kPa	Relay (1.0-beta) Calculated Property
Tboil	602.96	K	Relay (1.0) Calculated Property
Tc	827.58	K	Relay (1.0) Calculated Property
Tfus	434.35 ± 0.20	K	NIST
Vc	0.642	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Ethirimol.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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