Chemical Properties of 1H-Indole, 4-methyl- (CAS 16096-32-5)

InChI

InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3

InChI Key

PZOUSPYUWWUPPK-UHFFFAOYSA-N

Formula

C9H9N

SMILES

Cc1cccc2[nH]ccc12

Molecular Weight¹

131.17

CAS

16096-32-5

Other Names

• 4-Methyl-1H-indole
• 4-Methylindole
• Indole, 4-methyl-

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[405.32; 573.34]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47005e+01
Coefficient B			-4.52578e+03
Coefficient C			-9.13120e+01
Temperature range, min.			405.32
Temperature range, max.			573.34
Pvap	1.33	kPa	405.32	Calculated Property
Pvap	2.99	kPa	423.99	Calculated Property
Pvap	6.17	kPa	442.66	Calculated Property
Pvap	11.81	kPa	461.33	Calculated Property
Pvap	21.26	kPa	480.00	Calculated Property
Pvap	36.24	kPa	498.66	Calculated Property
Pvap	58.98	kPa	517.33	Calculated Property
Pvap	92.12	kPa	536.00	Calculated Property
Pvap	138.82	kPa	554.67	Calculated Property
Pvap	202.65	kPa	573.34	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indole, 4-methyl-.

Sources

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

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