Chemical Properties of 1H-Pyrrole, 3-ethyl-2,4-dimethyl- (CAS 517-22-6)

InChI

InChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3

InChI Key

ZEBBLOXDLGIMEG-UHFFFAOYSA-N

Formula

C8H13N

SMILES

CCc1c(C)c[nH]c1C

Molecular Weight¹

123.20

CAS

517-22-6

Other Names

• 2,4-Dimethyl-3-ethylpyrrole
• 3-Ethyl-2,4-dimethyl-1H-pyrrole
• 3-Ethyl-2,4-dimethylpyrrole
• Cryptopyrrole
• Kryptopyrrol
• Kryptopyrrole
• NSC 62025
• Pyrrole, 3-ethyl-2,4-dimethyl-

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.44		Crippen Calculated Property
logPoct/wat	1.712		Crippen Calculated Property
McVol	114.100	ml/mol	McGowan Calculated Property
Inp	[988.00; 988.00]
Inp	988.00		NIST
Inp	988.00		NIST
Tboil	[470.45; 470.50]	K
Tboil	470.45 ± 0.40	K	NIST
Tboil	470.50 ± 0.40	K	NIST
Tfus	[286.75; 286.80]	K
Tfus	286.75 ± 0.20	K	NIST
Tfus	286.80 ± 0.30	K	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[369.20; 470.20]	K	[2.10; 94.70]
Tboilr	369.20	K	2.10	NIST
Tboilr	470.20	K	94.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.47; 202.66]	kPa	[336.90; 498.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52474e+01
Coefficient B			-4.23081e+03
Coefficient C			-7.24080e+01
Temperature range, min.			336.90
Temperature range, max.			498.22
Pvap	0.47	kPa	336.90	Calculated Property
Pvap	1.31	kPa	354.82	Calculated Property
Pvap	3.19	kPa	372.75	Calculated Property
Pvap	7.06	kPa	390.67	Calculated Property
Pvap	14.34	kPa	408.60	Calculated Property
Pvap	27.11	kPa	426.52	Calculated Property
Pvap	48.20	kPa	444.45	Calculated Property
Pvap	81.30	kPa	462.37	Calculated Property
Pvap	130.96	kPa	480.30	Calculated Property
Pvap	202.66	kPa	498.22	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Pyrrole, 3-ethyl-2,4-dimethyl-.

Sources

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

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