Chemical Properties of Pyridine, 2,4,6-trimethyl- (CAS 108-75-8)

InChI

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

InChI Key

BWZVCCNYKMEVEX-UHFFFAOYSA-N

Formula

C8H11N

SMILES

Cc1cc(C)nc(C)c1

Molecular Weight¹

121.18

CAS

108-75-8

Other Names

• 2,4,6-Kollidin
• 2,4,6-collidine
• 2,4,6-trimethylpyridine
• NSC 460
• gamma-Collidine
• s-Collidine
• sym-Collidine
• «alpha»,«gamma»,«alpha»'-Collidine
• «gamma»-Collidine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : 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	[0.4099; 0.4130]
ω	0.4099		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4130		KDB
ΔcH°liquid	-4689.10 ± 2.00	kJ/mol	NIST
ΔfG°	142.56	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	32.49	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-31.00 ± 2.30	kJ/mol	NIST
ΔvapH°	[50.20; 50.40]	kJ/mol
ΔvapH°	50.40 ± 2.90	kJ/mol	NIST
ΔvapH°	50.20	kJ/mol	NIST
ΔvapH°	50.30 ± 0.20	kJ/mol	NIST
IE	8.90 ± 0.10	eV	NIST
log10WS	-0.38		Relay (1.0) Calculated Property
logPoct/wat	2.007		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
Pc	[3200.00; 3201.87]	kPa
Pc	3201.87	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3200.00	kPa	KDB
Inp	[158.66; 1012.00]
Inp	986.60		NIST
Inp	986.60		NIST
Inp	988.00		NIST
Inp	976.00		NIST
Inp	972.00		NIST
Inp	982.00		NIST
Inp	985.00		NIST
Inp	1012.00		NIST
Inp	996.00		NIST
Inp	980.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	977.00		NIST
Inp	977.00		NIST
Inp	993.00		NIST
Inp	987.00		NIST
Inp	996.00		NIST
Inp	999.00		NIST
Inp	976.50		NIST
Inp	1004.00		NIST
Inp	Outlier 158.66		NIST
Inp	976.00		NIST
Inp	996.00		NIST
Inp	Outlier 158.66		NIST
Ip	[1353.00; 1410.00]
Ip	1368.00		NIST
Ip	1353.00		NIST
Ip	1410.00		NIST
Ip	1405.00		NIST
Ip	1397.00		NIST
Ip	1405.00		NIST
Ip	1402.00		NIST
Ip	1398.00		NIST
Ip	1355.00		NIST
Ip	1365.00		NIST
Ip	1365.00		NIST
Ip	1365.00		NIST
Ip	1364.00		NIST
Ip	1372.00		NIST
Ip	1375.00		NIST
Ip	1371.00		NIST
Ip	1358.00		NIST
Ip	1360.00		NIST
Ip	1378.00		NIST
Ip	1378.00		NIST
Ip	1362.00		NIST
Ip	1355.00		NIST
Ip	1372.00		NIST
Ip	1368.00		NIST
Ip	1405.00		NIST
Tboil	[440.65; 445.15]	K
Tboil	443.50	K	KDB
Tboil	443.70	K	NIST
Tboil	444.35 ± 0.20	K	NIST
Tboil	444.65 ± 0.50	K	NIST
Tboil	444.62 ± 0.20	K	NIST
Tboil	445.15 ± 2.00	K	NIST
Tboil	Outlier 440.65 ± 1.50	K	NIST
Tboil	443.15 ± 1.00	K	NIST
Tc	[645.00; 645.00]	K
Tc	645.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	645.00	K	KDB
Tfus	[227.15; 229.00]	K
Tfus	227.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	229.00	K	KDB
Tfus	228.15 ± 1.00	K	NIST
Tfus	228.95 ± 0.05	K	NIST
Tfus	228.69 ± 0.10	K	NIST
Vc	0.427	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	215.10	J/mol×K	300.60	NIST
ΔfusH	[9.54; 9.54]	kJ/mol	[228.96; 229.00]
ΔfusH	9.54	kJ/mol	228.96	NIST
ΔfusH	9.54	kJ/mol	229.00	NIST
ΔfusH	9.54	kJ/mol	229.00	NIST
ΔvapH	[45.50; 51.20]	kJ/mol	[328.00; 371.00]
ΔvapH	48.30	kJ/mol	328.00	NIST
ΔvapH	47.20	kJ/mol	343.00	NIST
ΔvapH	46.50	kJ/mol	363.50	NIST
ΔvapH	45.50	kJ/mol	368.00	NIST
ΔvapH	51.20	kJ/mol	371.00	NIST
ρl	[702.86; 928.45]	kg/m3	[276.15; 313.15]
ρl	928.45	kg/m3	276.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	927.61	kg/m3	277.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	922.54	kg/m3	283.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	918.32	kg/m3	288.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	702.86	kg/m3	293.10	KDB
ρl	914.08	kg/m3	293.14	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	909.84	kg/m3	298.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	905.58	kg/m3	303.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	901.31	kg/m3	308.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
ρl	897.03	kg/m3	313.15	Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[329.96; 472.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46994e+01
Coefficient B			-3.82577e+03
Coefficient C			-6.44990e+01
Temperature range, min.			329.96
Temperature range, max.			472.02
Pvap	1.33	kPa	329.96	Calculated Property
Pvap	2.99	kPa	345.74	Calculated Property
Pvap	6.17	kPa	361.53	Calculated Property
Pvap	11.81	kPa	377.31	Calculated Property
Pvap	21.26	kPa	393.10	Calculated Property
Pvap	36.25	kPa	408.88	Calculated Property
Pvap	58.98	kPa	424.67	Calculated Property
Pvap	92.13	kPa	440.45	Calculated Property
Pvap	138.82	kPa	456.24	Calculated Property
Pvap	202.65	kPa	472.02	Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 2,4,6-trimethyl-.

Mixtures

• Pyridine, 2,4,6-trimethyl- + Methyl Alcohol
• 1,2-Ethanediol + Pyridine, 2,4,6-trimethyl-

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• 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
• Volumetric Properties of Binary Mixtures of 2,4,6-Trimethylpyridine with 1,2-Ethanediol, Methanol, and Water, and the Association Energies of the O-H***N Bonded Complexes
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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