Chemical Properties of 1,2,5-Trimethylpyrrole (CAS 930-87-0)

InChI

InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3

InChI Key

YRABRACUKBOTKB-UHFFFAOYSA-N

Formula

C7H11N

SMILES

Cc1ccc(C)n1C

Molecular Weight¹

109.17

CAS

930-87-0

Other Names

• 1H-Pyrrole, 1,2,5-trimethyl-
• Pyrrole, 1,2,5-trimethyl
• pyrrole, 1,2,5-trimethyl-

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	1.642		Crippen Calculated Property
McVol	100.010	ml/mol	McGowan Calculated Property
Inp	[976.00; 976.00]
Inp	976.00		NIST
Inp	976.00		NIST
Tboil	446.20	K	NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 1,2,5-Trimethylpyrrole.

Sources

• Crippen Method
• Crippen Method
• Experimental and high level ab initio enthalpies of formation of di- tri- tetra- and pentamethyl- substituted pyrroles
• McGowan Method
• NIST Webbook

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