Chemical Properties of 1H-Pyrrole, 2-ethyl- (CAS 1551-06-0)

InChI

InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-5,7H,2H2,1H3

InChI Key

XRPDDDRNQJNHLQ-UHFFFAOYSA-N

Formula

C6H9N

SMILES

CCc1ccc[nH]1

Molecular Weight¹

95.14

CAS

1551-06-0

Other Names

• 2-Ethylpyrrole
• 2-ethyl-1H-pyrrole
• Pyrrole,2-ethyl-

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.97 ± 0.05	eV	NIST
log10WS	-1.49		Crippen Calculated Property
logPoct/wat	1.095		Crippen Calculated Property
McVol	85.920	ml/mol	McGowan Calculated Property
Inp	[930.00; 944.00]
Inp	934.00		NIST
Inp	944.00		NIST
Inp	930.00		NIST
Inp	941.00		NIST
Tboil	437.20	K	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[332.70; 437.70]	K	[2.00; 101.00]
Tboilr	332.70	K	2.00	NIST
Tboilr	437.70	K	101.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[327.22; 463.90]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50353e+01
Coefficient B			-3.90140e+03
Coefficient C			-6.26780e+01
Temperature range, min.			327.22
Temperature range, max.			463.90
Pvap	1.33	kPa	327.22	Calculated Property
Pvap	2.97	kPa	342.41	Calculated Property
Pvap	6.09	kPa	357.59	Calculated Property
Pvap	11.64	kPa	372.78	Calculated Property
Pvap	20.94	kPa	387.97	Calculated Property
Pvap	35.75	kPa	403.15	Calculated Property
Pvap	58.32	kPa	418.34	Calculated Property
Pvap	91.39	kPa	433.53	Calculated Property
Pvap	138.24	kPa	448.71	Calculated Property
Pvap	202.66	kPa	463.90	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Pyrrole, 2-ethyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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