Chemical Properties of Dictamnine (CAS 484-29-7)

InChI

InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3

InChI Key

WIONIXOBNMDJFJ-UHFFFAOYSA-N

Formula

C12H9NO2

SMILES

COc1c2ccccc2nc2occc12

Molecular Weight¹

199.21

CAS

484-29-7

Other Names

• Furo[2,3-b]quinoline, 4-methoxy-
• Dictamine
• Diktaminin

• 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	0.5488		Relay (1.0) Calculated Property
ΔfG°	108.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-44.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	2.990		Crippen Calculated Property
McVol	143.280	ml/mol	McGowan Calculated Property
Pc	3606.35	kPa	Relay (1.0-beta) Calculated Property
Inp	[1958.10; 1958.10]
Inp	1958.10		NIST
Inp	1958.10		NIST
Tboil	612.96	K	Relay (1.0) Calculated Property
Tc	890.61	K	Relay (1.0) Calculated Property
Tfus	363.47	K	Relay (1.0) Calculated Property
Vc	0.562	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dictamnine.

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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