Chemical Properties of N-Formylloline

InChI

InChI=1S/C9H14N2O2/c1-10(5-12)8-7-4-11-3-2-6(13-7)9(8)11/h5-9H,2-4H2,1H3/t6-,7+,8-,9?/m1/s1

InChI Key

YHLKXYXFUCTURZ-OBCZXFEGSA-N

Formula

C9H14N2O2

SMILES

CN(C=O)C1C2CN3CCC(O2)C13

Molecular Weight¹

182.22

• 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	0.4607		Relay (... Calculated Property
ΔfG°	41.87	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-167.76	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.87	kJ/mol	Relay (... Calculated Property
IE	8.58	eV	Relay (... Calculated Property
log10WS	-0.41		Relay (... Calculated Property
logPoct/wat	-0.702		Crippen Calculated Property
McVol	132.490	ml/mol	McGowan Calculated Property
Pc	3232.72	kPa	Relay (... Calculated Property ⚠️
Inp	[1600.00; 1603.00]
Inp	1600.00		NIST
Inp	1603.00		NIST
Tboil	559.65	K	Relay (... Calculated Property
Tc	830.12	K	Relay (... Calculated Property
Tfus	405.67	K	Relay (... Calculated Property
Vc	0.519	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to N-Formylloline.

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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