Chemical Properties of 1H-Pyrrole, 1-propyl- (CAS 5145-64-2)

InChI

InChI=1S/C7H11N/c1-2-5-8-6-3-4-7-8/h3-4,6-7H,2,5H2,1H3

InChI Key

MFGOZCIHXVFZBC-UHFFFAOYSA-N

Formula

C7H11N

SMILES

CCCn1cccc1

Molecular Weight¹

109.17

CAS

5145-64-2

Other Names

• Pyrrole, 1-propyl
• 1-propylpyrrole

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.15		Crippen Calculated Property
logPoct/wat	1.898		Crippen Calculated Property
McVol	100.010	ml/mol	McGowan Calculated Property
Inp	[879.00; 910.00]
Inp	886.00		NIST
Inp	910.00		NIST
Inp	889.00		NIST
Inp	879.00		NIST
I	[1251.00; 1258.00]
I	1258.00		NIST
I	1251.00		NIST

Similar Compounds

Find more compounds similar to 1H-Pyrrole, 1-propyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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.