Chemical Properties of 2,6-Pyridinedicarboxylic acid, butyl 2-ethylbutyl ester

InChI

InChI=1S/C17H25NO4/c1-4-7-11-21-16(19)14-9-8-10-15(18-14)17(20)22-12-13(5-2)6-3/h8-10,13H,4-7,11-12H2,1-3H3

InChI Key

PSDNZDBGSJUEEP-UHFFFAOYSA-N

Formula

C17H25NO4

SMILES

CCCCOC(=O)c1cccc(C(=O)OCC(CC)CC)n1

Molecular Weight¹

307.38

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	0.8842		Relay (1.0) Calculated Property
ΔfH°gas	-768.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.96	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	3.632		Crippen Calculated Property
McVol	251.490	ml/mol	McGowan Calculated Property
Pc	1625.38	kPa	Relay (1.0-beta) Calculated Property
Inp	[2208.00; 2208.00]
Inp	2208.00		NIST
Inp	2208.00		NIST
Tboil	631.11	K	Relay (1.0) Calculated Property
Tc	826.82	K	Relay (1.0) Calculated Property
Tfus	251.29	K	Relay (1.0) Calculated Property
Vc	0.928	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 2,6-Pyridinedicarboxylic acid, butyl 2-ethylbutyl 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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