Chemical Properties of Hygroline A/B

InChI

InChI=1S/C8H17NO/c1-7(10)6-8-4-3-5-9(8)2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1

InChI Key

CWMYODFAUAJKIV-HTQZYQBOSA-N

Formula

C8H17NO

SMILES

CC(O)CC1CCCN1C

Molecular Weight¹

143.23

• 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	0.5625		Relay (... Calculated Property
ΔfG°	-17.25	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-292.44	kJ/mol	Relay (... Calculated Property
ΔvapH°	71.66	kJ/mol	Relay (... Calculated Property
IE	8.25	eV	Relay (... Calculated Property
log10WS	0.91		Relay (... Calculated Property
logPoct/wat	0.852		Crippen Calculated Property
McVol	128.570	ml/mol	McGowan Calculated Property
Pc	2950.56	kPa	Relay (... Calculated Property ⚠️
Inp	[1102.00; 1102.00]
Inp	1102.00		NIST
Inp	1102.00		NIST
Tboil	474.36	K	Relay (... Calculated Property
Tc	676.79	K	Relay (... Calculated Property
Tfus	274.20	K	Relay (... Calculated Property
Vc	0.460	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hygroline A/B.

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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