Chemical Properties of N-Acetylloline

InChI

InChI=1S/C10H16N2O2/c1-6(13)11(2)9-8-5-12-4-3-7(14-8)10(9)12/h7-10H,3-5H2,1-2H3/t7-,8+,9-,10?/m1/s1

InChI Key

YIZSKLHCDNIMHK-WSSOQDAQSA-N

Formula

C10H16N2O2

SMILES

CC(=O)N(C)C1C2CN3CCC(O2)C13

Molecular Weight¹

196.25

• 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	0.4805		Relay (... Calculated Property
ΔfG°	26.85	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-241.28	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.67	kJ/mol	Relay (... Calculated Property
IE	8.45	eV	Relay (... Calculated Property
log10WS	-0.20		Relay (... Calculated Property
logPoct/wat	-0.311		Crippen Calculated Property
McVol	146.580	ml/mol	McGowan Calculated Property
Pc	2793.38	kPa	Relay (... Calculated Property ⚠️
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST
Tboil	554.08	K	Relay (... Calculated Property
Tc	808.35	K	Relay (... Calculated Property
Tfus	423.04	K	Relay (... Calculated Property
Vc	0.577	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to N-Acetylloline.

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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