Chemical Properties of Tropanyl indole-3-lactate

InChI

InChI=1S/C19H24N2O3/c1-21-13-6-7-14(21)10-15(9-13)24-19(23)18(22)8-12-11-20-17-5-3-2-4-16(12)17/h2-5,11,13-15,18,20,22H,6-10H2,1H3

InChI Key

UWNZVZOXRZRTAJ-UHFFFAOYSA-N

Formula

C19H24N2O3

SMILES

CN1C2CCC1CC(OC(=O)C(O)Cc1c[nH]c3ccccc13)C2

Molecular Weight¹

328.41

• 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	0.8614		Relay (1.0) Calculated Property
ΔfG°	6.07	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-459.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	133.49	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-1.66		Relay (1.0) Calculated Property
logPoct/wat	1.758		Crippen Calculated Property
McVol	251.200	ml/mol	McGowan Calculated Property
Pc	1684.29	kPa	Relay (1.0-beta) Calculated Property
Inp	[3517.40; 3517.40]
Inp	3517.40		NIST
Inp	3517.40		NIST
Tboil	698.18	K	Relay (1.0) Calculated Property
Tc	1038.17	K	Relay (1.0) Calculated Property
Tfus	444.56	K	Relay (1.0) Calculated Property
Vc	0.937	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tropanyl indole-3-lactate.

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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