Chemical Properties of 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl- (CAS 1007-28-9)

InChI

InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)

InChI Key

IVENSCMCQBJAKW-UHFFFAOYSA-N

Formula

C5H8ClN5

SMILES

CCNc1nc(N)nc(Cl)n1

Molecular Weight¹

173.60

CAS

1007-28-9

Other Names

• s-Triazine, 2-amino-4-chloro-6-(ethylamino)-
• G 28279
• Atrazine deisopropyl
• Atrazine, desisopropyl
• Deisopropylatrazine
• Desethylsimazine
• Desisopropylatrazine
• Simazine, desethyl
• Atrazine M (des-isopropyl)

• 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	0.5685		Relay (1.0) Calculated Property
ΔfG°	361.79	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	5.47	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	0.539		Crippen Calculated Property
McVol	119.690	ml/mol	McGowan Calculated Property
Pc	4380.19	kPa	Relay (1.0-beta) Calculated Property
Inp	[280.28; 1654.00]
Inp	1654.00		NIST
Inp	280.28		NIST
Inp	280.28		NIST
Tboil	533.64	K	Relay (1.0) Calculated Property
Tc	829.80	K	Relay (1.0) Calculated Property
Tfus	446.29	K	Relay (1.0) Calculated Property
Vc	0.433	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-.

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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