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

InChI

InChI=1S/C28H47NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(29-25)28(31)33-23-24(5-2)6-3/h19-21,24H,4-18,22-23H2,1-3H3

InChI Key

FAFZYAUVSILZNX-UHFFFAOYSA-N

Formula

C28H47NO4

SMILES

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

Molecular Weight¹

461.68

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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	1.2906		Relay (1.0) Calculated Property
ΔfG°	-173.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-999.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	126.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-7.79		Relay (1.0) Calculated Property
logPoct/wat	7.923		Crippen Calculated Property
McVol	406.480	ml/mol	McGowan Calculated Property
Pc	676.03	kPa	Relay (1.0-beta) Calculated Property
Inp	[3184.00; 3184.00]
Inp	3184.00		NIST
Inp	3184.00		NIST
Tboil	708.22	K	Relay (1.0) Calculated Property
Tc	905.72	K	Relay (1.0) Calculated Property
Tfus	292.61	K	Relay (1.0) Calculated Property
Vc	1.526	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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