Chemical Properties of 2,6-Pyridinedicarboxylic acid, 5-methoxy-3-methylpent-2-yl undecyl ester

InChI

InChI=1S/C25H41NO5/c1-5-6-7-8-9-10-11-12-13-18-30-24(27)22-15-14-16-23(26-22)25(28)31-21(3)20(2)17-19-29-4/h14-16,20-21H,5-13,17-19H2,1-4H3

InChI Key

BOBQFBJNGUFICP-UHFFFAOYSA-N

Formula

C25H41NO5

SMILES

CCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(C)C(C)CCOC)n1

Molecular Weight¹

435.60

• 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	1.1751		Relay (1.0) Calculated Property
ΔfG°	-282.52	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1044.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	113.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-5.82		Relay (1.0) Calculated Property
logPoct/wat	5.987		Crippen Calculated Property
McVol	370.080	ml/mol	McGowan Calculated Property
Pc	868.71	kPa	Relay (1.0-beta) Calculated Property
Inp	[2989.00; 2989.00]
Inp	2989.00		NIST
Inp	2989.00		NIST
Tboil	692.41	K	Relay (1.0) Calculated Property
Tc	889.11	K	Relay (1.0) Calculated Property
Tfus	296.82	K	Relay (1.0) Calculated Property
Vc	1.368	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Pyridinedicarboxylic acid, 5-methoxy-3-methylpent-2-yl undecyl ester.

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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