Chemical Properties of 2,6-Pyridinedicarboxylic acid, butyl 3,5-dichlorobenzyl ester

InChI

InChI=1S/C18H17Cl2NO4/c1-2-3-7-24-17(22)15-5-4-6-16(21-15)18(23)25-11-12-8-13(19)10-14(20)9-12/h4-6,8-10H,2-3,7,11H2,1H3

InChI Key

OGLPKOINLDSECB-UHFFFAOYSA-N

Formula

C18H17Cl2NO4

SMILES

CCCCOC(=O)c1cccc(C(=O)OCc2cc(Cl)cc(Cl)c2)n1

Molecular Weight¹

382.24

• 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	0.9146		Relay (1.0) Calculated Property
ΔfH°gas	-587.57	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.49	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	4.702		Crippen Calculated Property
McVol	266.300	ml/mol	McGowan Calculated Property
Pc	1687.62	kPa	Relay (1.0-beta) Calculated Property
Inp	[2833.00; 2833.00]
Inp	2833.00		NIST
Inp	2833.00		NIST
Tboil	668.84	K	Relay (1.0) Calculated Property
Tc	929.28	K	Relay (1.0) Calculated Property
Tfus	306.42	K	Relay (1.0) Calculated Property
Vc	0.973	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, butyl 3,5-dichlorobenzyl 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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