Chemical Properties of 2,6-Pyridinedicarboxylic acid, neopentyl propyl ester

InChI

InChI=1S/C15H21NO4/c1-5-9-19-13(17)11-7-6-8-12(16-11)14(18)20-10-15(2,3)4/h6-8H,5,9-10H2,1-4H3

InChI Key

HCJPFIFUGUFGFO-UHFFFAOYSA-N

Formula

C15H21NO4

SMILES

CCCOC(=O)c1cccc(C(=O)OCC(C)(C)C)n1

Molecular Weight¹

279.33

• 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	-734.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	76.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.09		Relay (1.0) Calculated Property
logPoct/wat	2.851		Crippen Calculated Property
McVol	223.310	ml/mol	McGowan Calculated Property
Pc	1563.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	611.93	K	Relay (1.0) Calculated Property
Tfus	315.86	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, neopentyl propyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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