Chemical Properties of RTI 10

InChI

InChI=1S/C13H10N2O2/c1-15-10-6-2-3-7-11(10)17-12-9(13(15)16)5-4-8-14-12/h2-8H,1H3

InChI Key

BBMMISOHGVCAMY-UHFFFAOYSA-N

Formula

C13H10N2O2

SMILES

CN1C(=O)c2cccnc2Oc2ccccc21

Molecular Weight¹

226.24

Other Names

• 6-methylpyrido[2,3-b][1,5]benzoxazepin-5-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	0.6085		Relay (1.0) Calculated Property
ΔfG°	112.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-60.29	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	86.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	[-3.67; -3.67]
log10WS	-3.67		Aq. Solubility Prediction
log10WS	-3.67		Estimated Solubility
logPoct/wat	2.464		Crippen Calculated Property
McVol	163.050	ml/mol	McGowan Calculated Property
Pc	3956.62	kPa	Relay (1.0-beta) Calculated Property
Tboil	630.95	K	Relay (1.0) Calculated Property
Tc	965.21	K	Relay (1.0) Calculated Property
Tfus	432.10	K	Relay (1.0) Calculated Property
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to RTI 10.

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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