Chemical Properties of 5-(2-Hydroxypropyl)-hygroline

InChI

InChI=1S/C11H23NO2/c1-8(13)6-10-4-5-11(12(10)3)7-9(2)14/h8-11,13-14H,4-7H2,1-3H3

InChI Key

SHKZSQAXFPKKGB-UHFFFAOYSA-N

Formula

C11H23NO2

SMILES

CC(O)CC1CCC(CC(C)O)N1C

Molecular Weight¹

201.31

• 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	0.7163		Relay (... Calculated Property
ΔfG°	-85.54	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-500.00	kJ/mol	Relay (... Calculated Property
ΔvapH°	102.06	kJ/mol	Relay (... Calculated Property
IE	7.86	eV	Relay (... Calculated Property
log10WS	0.18		Relay (... Calculated Property
logPoct/wat	0.991		Crippen Calculated Property
McVol	176.710	ml/mol	McGowan Calculated Property
Pc	2297.19	kPa	Relay (... Calculated Property ⚠️
Inp	[1478.00; 1478.00]
Inp	1478.00		NIST
Inp	1478.00		NIST
Inp	1478.00		NIST
Tboil	555.77	K	Relay (... Calculated Property
Tc	749.17	K	Relay (... Calculated Property
Tfus	340.68	K	Relay (... Calculated Property
Vc	0.636	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5-(2-Hydroxypropyl)-hygroline.

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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