Chemical Properties of RTI 15

InChI

InChI=1S/C15H16N4O/c1-4-19-13-11(6-5-7-16-13)15(20)18-12-9(2)8-10(3)17-14(12)19/h5-8H,4H2,1-3H3,(H,18,20)

InChI Key

UDDMNBYVRLYNKY-UHFFFAOYSA-N

Formula

C15H16N4O

SMILES

CCN1c2ncccc2C(=O)Nc2c(C)cc(C)nc21

Molecular Weight¹

268.32

Other Names

• 11-Ethyl-2,4-dimethyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one

• 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).
• 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	0.7301		Relay (1.0) Calculated Property
ΔfG°	257.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	26.28	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	107.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.55	eV	Relay (1.0) Calculated Property
log10WS	[-4.55; -4.55]
log10WS	-4.55		Aq. Solubility Prediction
log10WS	-4.55		Estimated Solubility
logPoct/wat	2.817		Crippen Calculated Property
McVol	205.320	ml/mol	McGowan Calculated Property
Pc	3067.58	kPa	Relay (1.0-beta) Calculated Property
Tboil	670.28	K	Relay (1.0) Calculated Property
Tc	1025.18	K	Relay (1.0) Calculated Property
Tfus	522.40	K	Relay (1.0) Calculated Property
Vc	0.749	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to RTI 15.

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

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