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

InChI

InChI=1S/C31H53NO4/c1-3-5-7-9-11-13-14-15-16-18-20-22-27-36-31(34)29-25-23-24-28(32-29)30(33)35-26-21-19-17-12-10-8-6-4-2/h23-25H,3-22,26-27H2,1-2H3

InChI Key

AYOMNVDUCBVHOD-UHFFFAOYSA-N

Formula

C31H53NO4

SMILES

CCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCCC)n1

Molecular Weight¹

503.77

• 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	1.4538		Relay (1.0) Calculated Property
ΔfH°gas	-1046.20	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	140.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.78		Relay (1.0) Calculated Property
logPoct/wat	9.237		Crippen Calculated Property
McVol	448.750	ml/mol	McGowan Calculated Property
Pc	475.89	kPa	Relay (1.0-beta) Calculated Property
Inp	[3433.00; 3433.00]
Inp	3433.00		NIST
Inp	3433.00		NIST
Tboil	724.15	K	Relay (1.0) Calculated Property
Tc	920.37	K	Relay (1.0) Calculated Property
Tfus	330.75	K	Relay (1.0) Calculated Property
Vc	1.727	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, decyl tetradecyl 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.