Chemical Properties of 2,6-Pyridinedicarboxylic acid, decyl 2-ethylhexyl ester

InChI

InChI=1S/C25H41NO4/c1-4-7-9-10-11-12-13-14-19-29-24(27)22-17-15-18-23(26-22)25(28)30-20-21(6-3)16-8-5-2/h15,17-18,21H,4-14,16,19-20H2,1-3H3

InChI Key

IFPLRLOYLMXGJC-UHFFFAOYSA-N

Formula

C25H41NO4

SMILES

CCCCCCCCCCOC(=O)c1cccc(C(=O)OCC(CC)CCCC)n1

Molecular Weight¹

419.60

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-930.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	115.10	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.97		Relay (1.0) Calculated Property
logPoct/wat	6.752		Crippen Calculated Property
McVol	364.210	ml/mol	McGowan Calculated Property
Pc	900.38	kPa	Relay (1.0-beta) Calculated Property
Inp	[2934.00; 2934.00]
Inp	2934.00		NIST
Inp	2934.00		NIST
Tboil	688.55	K	Relay (1.0) Calculated Property
Tfus	268.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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, decyl 2-ethylhexyl 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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