Chemical Properties of Pyridine, 2-ethyl- (CAS 100-71-0)

InChI

InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3

InChI Key

NRGGMCIBEHEAIL-UHFFFAOYSA-N

Formula

C7H9N

SMILES

CCc1ccccn1

Molecular Weight¹

107.15

CAS

100-71-0

Other Names

• 2-Ethylpyridine
• 2-ethyl pyridine
• ALPHA-ETHYLPYRIDINE
• «alpha»-Ethylpyridine
• «alpha»-Ethylpyridine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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 : 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	0.3630		KDB
PAff	952.40	kJ/mol	NIST
BasG	920.60	kJ/mol	NIST
ΔcH°liquid	-4042.30	kJ/mol	NIST
ΔfG°	173.77	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	69.11	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	1.50	kJ/mol	NIST
ΔvapH°	44.70 ± 0.80	kJ/mol	NIST
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	[0.51; 0.51]
log10WS	0.51		Aq. Solubility Prediction
log10WS	0.51		Estimated Solubility
logPoct/wat	1.644		Crippen Calculated Property
McVol	95.710	ml/mol	McGowan Calculated Property
Pc	4100.00	kPa	KDB
Inp	[140.78; 951.00]
Inp	886.90		NIST
Inp	886.90		NIST
Inp	888.00		NIST
Inp	895.00		NIST
Inp	914.00		NIST
Inp	871.80		NIST
Inp	901.00		NIST
Inp	908.00		NIST
Inp	916.00		NIST
Inp	881.00		NIST
Inp	881.00		NIST
Inp	906.00		NIST
Inp	884.40		NIST
Inp	919.00		NIST
Inp	919.00		NIST
Inp	879.40		NIST
Inp	951.00		NIST
Inp	905.00		NIST
Inp	901.00		NIST
Inp	910.00		NIST
Inp	905.70		NIST
Inp	904.00		NIST
Inp	863.00		NIST
Inp	866.00		NIST
Inp	912.00		NIST
Inp	908.00		NIST
Inp	910.00		NIST
Inp	915.00		NIST
Inp	Outlier 140.78		NIST
Inp	881.00		NIST
Inp	910.00		NIST
Inp	906.00		NIST
Inp	951.00		NIST
I	[1267.00; 1311.00]
I	1288.00		NIST
I	1290.00		NIST
I	1284.00		NIST
I	Outlier 1311.00		NIST
I	1282.00		NIST
I	1277.00		NIST
I	1286.00		NIST
I	1279.00		NIST
I	1279.00		NIST
I	1284.00		NIST
I	1267.00		NIST
I	1282.00		NIST
I	1272.00		NIST
I	1273.00		NIST
I	1274.00		NIST
I	1274.00		NIST
I	1275.00		NIST
I	1275.00		NIST
I	1275.00		NIST
I	1282.00		NIST
I	1275.00		NIST
Tboil	[417.00; 423.15]	K
Tboil	421.80	K	KDB
Tboil	421.80	K	NIST
Tboil	423.15 ± 1.50	K	NIST
Tboil	422.05 ± 0.40	K	NIST
Tboil	422.00 ± 3.00	K	NIST
Tboil	Outlier 417.00 ± 4.00	K	NIST
Tc	[628.00; 634.00]	K
Tc	634.00	K	KDB
Tc	628.00	K	Critical point measurements of four pyridines
Tfus	[210.00; 210.10]	K
Tfus	210.00	K	KDB
Tfus	210.10	K	Aq. Solubility Prediction
Tfus	210.05 ± 0.50	K	NIST
Vc	0.353	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[313.04; 448.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47492e+01
Coefficient B			-3.67933e+03
Coefficient C			-5.86190e+01
Temperature range, min.			313.04
Temperature range, max.			448.47
Pvap	1.33	kPa	313.04	Calculated Property
Pvap	2.99	kPa	328.09	Calculated Property
Pvap	6.16	kPa	343.14	Calculated Property
Pvap	11.79	kPa	358.18	Calculated Property
Pvap	21.21	kPa	373.23	Calculated Property
Pvap	36.17	kPa	388.28	Calculated Property
Pvap	58.87	kPa	403.33	Calculated Property
Pvap	92.01	kPa	418.37	Calculated Property
Pvap	138.72	kPa	433.42	Calculated Property
Pvap	202.63	kPa	448.47	Calculated Property
Pvap	[1.41e-03; 3940.30]	kPa	[225.15; 631.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.84456e+01
Coefficient B			-7.49816e+03
Coefficient C			-7.73720e+00
Coefficient D			4.01534e-06
Temperature range, min.			225.15
Temperature range, max.			631.15
Pvap	1.41e-03	kPa	225.15	Calculated Property
Pvap	0.10	kPa	270.26	Calculated Property
Pvap	1.74	kPa	315.37	Calculated Property
Pvap	13.66	kPa	360.48	Calculated Property
Pvap	63.73	kPa	405.59	Calculated Property
Pvap	209.38	kPa	450.71	Calculated Property
Pvap	539.80	kPa	495.82	Calculated Property
Pvap	1171.94	kPa	540.93	Calculated Property
Pvap	2248.04	kPa	586.04	Calculated Property
Pvap	3940.30	kPa	631.15	Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 2-ethyl-.

Sources

• KDB Vapor Pressure Data
• 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
• Critical point measurements of four pyridines
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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