Chemical Properties of 2,4,5-Trimethylpyridine (CAS 1122-39-0)

InChI

InChI=1S/C8H11N/c1-6-4-8(3)9-5-7(6)2/h4-5H,1-3H3

InChI Key

MNDSSKADVGDFDF-UHFFFAOYSA-N

Formula

C8H11N

SMILES

Cc1cc(C)c(C)cn1

Molecular Weight¹

121.18

CAS

1122-39-0

Other Names

• Pyridine, 2,4,5-trimethyl-

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3835		Relay (1.0) Calculated Property
ΔfG°	164.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	31.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-0.55		Relay (1.0) Calculated Property
logPoct/wat	2.007		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
Pc	3942.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[1053.90; 1084.00]
Inp	1066.00		NIST
Inp	1084.00		NIST
Inp	1053.90		NIST
Inp	1071.00		NIST
I	[1507.00; 1507.00]
I	1507.00		NIST
I	1507.00		NIST
Tboil	456.65 ± 5.00	K	NIST
Tc	682.22	K	Relay (1.0) Calculated Property
Tfus	265.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to 2,4,5-Trimethylpyridine.

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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