Chemical Properties of Pyridine, 3-(1-butenyl), E

InChI

InChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h3-8H,2H2,1H3/b5-3+

InChI Key

KTXMSWAHSUYOHZ-HWKANZROSA-N

Formula

C9H11N

SMILES

CCC=Cc1cccnc1

Molecular Weight¹

133.19

Other Names

• Pyridine, 3-(1-buten-1-yl), (E)-

• 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).
• 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	0.3226		Relay (1.0) Calculated Property
ΔfG°	242.98	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	140.07	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	55.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
logPoct/wat	2.505		Crippen Calculated Property
McVol	119.590	ml/mol	McGowan Calculated Property
Pc	3741.94	kPa	Relay (1.0-beta) Calculated Property
Inp	[1145.00; 1177.00]
Inp	1176.00		NIST
Inp	1177.00		NIST
Inp	1145.00		NIST
I	1657.00		NIST
Tboil	487.07	K	Relay (1.0) Calculated Property
Tc	698.36	K	Relay (1.0) Calculated Property
Tfus	244.11	K	Relay (1.0) Calculated Property
Vc	0.428	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Pyridine, 3-(1-butenyl), E.

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.