Chemical Properties of Quinoline, 3-ethyl-2-propyl

InChI

InChI=1S/C14H17N/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h5-6,8-10H,3-4,7H2,1-2H3

InChI Key

CXHUPHNAWXTJFS-UHFFFAOYSA-N

Formula

C14H17N

SMILES

CCCc1nc2ccccc2cc1CC

Molecular Weight¹

199.30

Other Names

• 3-ethyl-2-propylquinoline

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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.
• I : 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	0.5536		Relay (1.0) Calculated Property
ΔfH°gas	83.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-3.60		Relay (1.0) Calculated Property
logPoct/wat	3.750		Crippen Calculated Property
McVol	174.880	ml/mol	McGowan Calculated Property
Pc	2486.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[1644.00; 1657.00]
Inp	1644.00		NIST
Inp	1657.00		NIST
Inp	1644.00		NIST
I	[2208.00; 2236.00]
I	2208.00		NIST
I	2236.00		NIST
I	2208.00		NIST
I	2236.00		NIST
I	2208.00		NIST
Tboil	570.57	K	Relay (1.0) Calculated Property
Tc	813.04	K	Relay (1.0) Calculated Property
Tfus	288.73	K	Relay (1.0) Calculated Property
Vc	0.660	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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, 3-ethyl-2-propyl.

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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