Chemical Properties of (9Z,11E)-Hexadeca-9,11-dien-1-ol, adduct with 4-methyl-3,5-dihydro-1,2,4-triazole-3,5-dione

InChI

InChI=1S/C19H33N3O3/c1-3-4-11-16-13-14-17(12-9-7-5-6-8-10-15-23)22-19(25)20(2)18(24)21(16)22/h13-14,16-17,23H,3-12,15H2,1-2H3

InChI Key

GIGHUEGEVMIZMA-UHFFFAOYSA-N

Formula

C19H33N3O3

SMILES

CCCCC1C=CC(CCCCCCCCO)n2c(=O)n(C)c(=O)n21

Molecular Weight¹

351.48

• 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	1.0945		Relay (1.0) Calculated Property
ΔfG°	108.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-595.18	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	135.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	2.914		Crippen Calculated Property
McVol	291.500	ml/mol	McGowan Calculated Property
Pc	1121.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[1842.00; 1843.00]
Inp	1842.00		NIST
Inp	1843.00		NIST
Inp	1842.00		NIST
Tboil	686.98	K	Relay (1.0) Calculated Property
Tc	932.15	K	Relay (1.0) Calculated Property
Tfus	360.11	K	Relay (1.0) Calculated Property
Vc	1.098	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (9Z,11E)-Hexadeca-9,11-dien-1-ol, adduct with 4-methyl-3,5-dihydro-1,2,4-triazole-3,5-dione.

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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