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

InChI

InChI=1S/C18H27NO5/c1-12(2)11-23-17(20)15-7-6-8-16(19-15)18(21)24-14(4)13(3)9-10-22-5/h6-8,12-14H,9-11H2,1-5H3

InChI Key

FAYCDAPUOWBJLT-UHFFFAOYSA-N

Formula

C18H27NO5

SMILES

COCCC(C)C(C)OC(=O)c1cccc(C(=O)OCC(C)C)n1

Molecular Weight¹

337.41

• 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	0.8788		Relay (1.0) Calculated Property
ΔfG°	-350.38	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-910.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	3.112		Crippen Calculated Property
McVol	271.450	ml/mol	McGowan Calculated Property
Pc	1377.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[2291.00; 2291.00]
Inp	2291.00		NIST
Inp	2291.00		NIST
Tboil	640.81	K	Relay (1.0) Calculated Property
Tc	828.99	K	Relay (1.0) Calculated Property
Tfus	292.28	K	Relay (1.0) Calculated Property
Vc	0.989	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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