Chemical Properties of 4'-Methyl-«alpha»-pyrrolidinohexanophenone

InChI

InChI=1S/C17H25NO/c1-3-4-7-16(18-12-5-6-13-18)17(19)15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3

InChI Key

YOSQVMGMENUCDX-UHFFFAOYSA-N

Formula

C17H25NO

SMILES

CCCCC(C(=O)c1ccc(C)cc1)N1CCCC1

Molecular Weight¹

259.39

Other Names

• R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone

• 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	0.6361		Relay (... Calculated Property
ΔfG°	121.97	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-171.99	kJ/mol	Relay (... Calculated Property
ΔvapH°	84.88	kJ/mol	Relay (... Calculated Property
IE	7.42	eV	Relay (... Calculated Property
log10WS	-3.17		Relay (... Calculated Property
logPoct/wat	3.832		Crippen Calculated Property
McVol	227.320	ml/mol	McGowan Calculated Property
Pc	1597.87	kPa	Relay (... Calculated Property ⚠️
Inp	[1965.00; 1965.00]
Inp	1965.00		NIST
Inp	1965.00		NIST
Tboil	617.36	K	Relay (... Calculated Property
Tc	828.61	K	Relay (... Calculated Property
Tfus	336.46	K	Relay (... Calculated Property
Vc	0.817	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 4'-Methyl-«alpha»-pyrrolidinohexanophenone.

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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