Chemical Properties of Pyridine, 2,5-dimethyl- (CAS 589-93-5)

InChI

InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3

InChI Key

XWKFPIODWVPXLX-UHFFFAOYSA-N

Formula

C7H9N

SMILES

Cc1ccc(C)nc1

Molecular Weight¹

107.15

CAS

589-93-5

Other Names

• 2,5-Dimethylpyridine
• 2,5-LUTIDINE
• 5-methyl-2-methylpyridine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	958.80	kJ/mol	NIST
BasG	926.90	kJ/mol	NIST
ΔcH°liquid	-4059.40	kJ/mol	NIST
μ	2.20	debye	KDB
ΔfH°gas	[66.40; 66.44]	kJ/mol
ΔfH°gas	66.44	kJ/mol	KDB
ΔfH°gas	66.40	kJ/mol	NIST
ΔfH°liquid	18.60	kJ/mol	NIST
ΔvapH°	47.82	kJ/mol	NIST
IE	8.80 ± 0.05	eV	NIST
log10WS	0.40		Aq. Sol...
logPoct/wat	1.698		Crippen Calculated Property
McVol	95.710	ml/mol	McGowan Calculated Property
Inp	[903.20; 946.00]
Inp	919.10		NIST
Inp	920.00		NIST
Inp	921.00		NIST
Inp	917.00		NIST
Inp	912.00		NIST
Inp	926.00		NIST
Inp	913.00		NIST
Inp	911.00		NIST
Inp	912.00		NIST
Inp	912.00		NIST
Inp	913.00		NIST
Inp	Outlier 946.00		NIST
Inp	903.20		NIST
Inp	930.00		NIST
Inp	919.00		NIST
Inp	915.00		NIST
Inp	909.20		NIST
Inp	917.00		NIST
Inp	916.00		NIST
Inp	916.00		NIST
Inp	928.00		NIST
Inp	926.00		NIST
Inp	936.00		NIST
Inp	928.00		NIST
Inp	909.20		NIST
Inp	919.10		NIST
Inp	926.00		NIST
Inp	913.00		NIST
Inp	915.00		NIST
Inp	936.00		NIST
I	[1325.00; 1415.00]
I	1330.00		NIST
I	1371.00		NIST
I	1371.00		NIST
I	1370.00		NIST
I	1395.00		NIST
I	1372.00		NIST
I	1373.00		NIST
I	1415.00		NIST
I	1329.00		NIST
I	1332.00		NIST
I	1335.00		NIST
I	1330.00		NIST
I	1325.00		NIST
I	1412.00		NIST
I	1326.00		NIST
I	1325.00		NIST
I	1329.00		NIST
S°liquid	248.81	J/mol×K	NIST
Tboil	[426.25; 431.20]	K
Tboil	430.16	K	KDB
Tboil	431.20	K	NIST
Tboil	429.90 ± 0.30	K	NIST
Tboil	426.65 ± 3.00	K	NIST
Tboil	429.15 ± 2.00	K	NIST
Tboil	426.25 ± 1.50	K	NIST
Tc	[644.15; 644.20]	K
Tc	644.20	K	KDB
Tc	644.16 ± 0.30	K	NIST
Tc	644.15 ± 1.00	K	NIST
Tfus	[257.00; 259.07]	K
Tfus	257.00	K	KDB
Tfus	259.07	K	NIST
Tfus	257.15 ± 0.50	K	NIST
Tfus	257.61 ± 0.03	K	NIST
Ttriple	259.07 ± 0.01	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	184.70	J/mol×K	298.15	NIST
ΔfusH	[14.64; 14.64]	kJ/mol	[259.10; 259.10]
ΔfusH	14.64	kJ/mol	259.10	NIST
ΔfusH	14.64	kJ/mol	259.10	NIST
ΔvapH	[36.50; 44.40]	kJ/mol	[394.50; 400.50]
ΔvapH	42.80	kJ/mol	394.50	NIST
ΔvapH	44.40	kJ/mol	400.50	NIST
ΔvapH	41.90	kJ/mol	400.50	NIST
ΔvapH	39.40	kJ/mol	400.50	NIST
ΔvapH	36.50	kJ/mol	400.50	NIST
ρl	938.00	kg/m3	273.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[319.12; 458.84]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46024e+01
Coefficient B			-3.69877e+03
Coefficient C			-6.07320e+01
Temperature range, min.			319.12
Temperature range, max.			458.84
Pvap	1.33	kPa	319.12	Calculated Property
Pvap	3.00	kPa	334.64	Calculated Property
Pvap	6.19	kPa	350.17	Calculated Property
Pvap	11.87	kPa	365.69	Calculated Property
Pvap	21.35	kPa	381.22	Calculated Property
Pvap	36.40	kPa	396.74	Calculated Property
Pvap	59.18	kPa	412.27	Calculated Property
Pvap	92.35	kPa	427.79	Calculated Property
Pvap	139.00	kPa	443.32	Calculated Property
Pvap	202.66	kPa	458.84	Calculated Property
Pvap	[6.77; 114.95]	kPa	[350.00; 435.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.69764e+01
Coefficient B			-8.86176e+03
Coefficient C			-1.20654e+01
Coefficient D			7.61858e-06
Temperature range, min.			350.00
Temperature range, max.			435.00
Pvap	6.77	kPa	350.00	Calculated Property
Pvap	10.04	kPa	359.44	Calculated Property
Pvap	14.55	kPa	368.89	Calculated Property
Pvap	20.62	kPa	378.33	Calculated Property
Pvap	28.62	kPa	387.78	Calculated Property
Pvap	39.00	kPa	397.22	Calculated Property
Pvap	52.25	kPa	406.67	Calculated Property
Pvap	68.91	kPa	416.11	Calculated Property
Pvap	89.59	kPa	425.56	Calculated Property
Pvap	114.95	kPa	435.00	Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 2,5-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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