Chemical Properties of 2-acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine

InChI

InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3+

InChI Key

GAEQLABCUJPAHA-FPYGCLRLSA-N

Formula

C9H13NO

SMILES

CC=C1CCCN=C1C(C)=O

Molecular Weight¹

151.21

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.3999		Relay (1.0) Calculated Property
ΔfG°	110.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-103.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.72	kJ/mol	Joback Calculated Property
ΔvapH°	57.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-0.76		Relay (1.0) Calculated Property
logPoct/wat	1.756		Crippen Calculated Property
McVol	129.760	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
Inp	[1472.00; 1472.00]
Inp	1472.00		NIST
Inp	1472.00		NIST
Tboil	495.04	K	Relay (1.0) Calculated Property
Tc	737.61	K	Relay (1.0) Calculated Property
Tfus	306.78	K	Relay (1.0) Calculated Property
Vc	0.443	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.89; 389.04]	J/mol×K	[547.89; 778.58]
Cp,gas	307.89	J/mol×K	547.89	Joback Calculated Property
Cp,gas	323.73	J/mol×K	586.34	Joback Calculated Property
Cp,gas	338.62	J/mol×K	624.79	Joback Calculated Property
Cp,gas	352.58	J/mol×K	663.23	Joback Calculated Property
Cp,gas	365.63	J/mol×K	701.68	Joback Calculated Property
Cp,gas	377.78	J/mol×K	740.13	Joback Calculated Property
Cp,gas	389.04	J/mol×K	778.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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