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

InChI

InChI=1S/C20H31NO5/c1-5-6-7-8-13-25-19(22)17-10-9-11-18(21-17)20(23)26-16(3)15(2)12-14-24-4/h9-11,15-16H,5-8,12-14H2,1-4H3

InChI Key

LLIDIZFNXQLIBO-UHFFFAOYSA-N

Formula

C20H31NO5

SMILES

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

Molecular Weight¹

365.46

• 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
log10WS	-4.14		Relay (1.0) Calculated Property
logPoct/wat	4.037		Crippen Calculated Property
McVol	299.630	ml/mol	McGowan Calculated Property
Pc	1274.92	kPa	Relay (1.0-beta) Calculated Property
Inp	[2519.00; 2519.00]
Inp	2519.00		NIST
Inp	2519.00		NIST
Tboil	657.68	K	Relay (1.0) Calculated Property
Tfus	277.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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, hexyl 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.