Chemical Properties of 7H-Dibenzo-8,9,10,11-tetrahydro- (CAS 78631-72-8)

InChI

InChI=1S/C21H18/c1-2-4-6-12-18-14-8-10-16-20(18)21-17-11-9-15-19(21)13-7-5-3-1/h8-11,14-17H,1-5H2

InChI Key

ZXDRPLPGXKZLMT-UHFFFAOYSA-N

Formula

C21H18

SMILES

C1#Cc2ccccc2-c2ccccc2C#CCCCCC1

Molecular Weight¹

270.37

CAS

78631-72-8

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

Physical Properties

Property	Value	Unit	Source
IE	[7.70; 8.04]	eV
IE	7.70	eV	NIST
IE	8.04	eV	NIST
log10WS	-7.46		Crippen Calculated Property
logPoct/wat	5.021		Crippen Calculated Property
McVol	231.170	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 7H-Dibenzo-8,9,10,11-tetrahydro-.

Sources

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

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