Chemical Properties of Quinoline-4-carboxylic acid, 2-pentyloxy, 2-(diethylaminoethyl)amide

InChI

InChI=1S/C21H30N2O3/c1-4-7-10-14-25-20-16-18(17-11-8-9-12-19(17)22-20)21(24)26-15-13-23(5-2)6-3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3

InChI Key

ZTOBHUWFUIMVNU-UHFFFAOYSA-N

Formula

C21H30N2O3

SMILES

CCCCCOc1cc(C(=O)OCCN(CC)CC)c2ccccc2n1

Molecular Weight¹

358.47

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-494.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.80	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	4.302		Crippen Calculated Property
McVol	296.800	ml/mol	McGowan Calculated Property
Pc	1383.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[2789.00; 2810.00]
Inp	2789.00		NIST
Inp	2810.00		NIST
Inp	2789.00		NIST
Tboil	692.07	K	Relay (1.0) Calculated Property
Tfus	291.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Quinoline-4-carboxylic acid, 2-pentyloxy, 2-(diethylaminoethyl)amide.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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