InChI=1/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1

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Inherent Properties, Identifiers and References

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ChemSpider ID:	8881420
Empirical Formula:	C₂¹³C₁₂H₁₀O₄
Molecular Weight:	254.1387
Nominal Mass:	254 Da
Average Mass:	254.1387 Da
Monoisotopic Mass:	254.098167 Da

Quick Links: Permalink Similar Isomers

Systematic Name:

benzoyl benzenecarboperoxoate

SMILES:

InChI:

InChI=1/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1

InChIKey:

OMPJBNCRMGITSC-WCGVKTIYEL

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(Details...)

Predicted Properties

LogP:	XLogP: 3.30	# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:		#H bond donors:
#Freely Rotating Bonds:		Polar Surface Area:	Å²
Index of Refraction:	1.585	Molar Refractivity:	64.73 cm³
Molar Volume:	193.1 cm³	Polarizability:	25.66 10^-24cm³
Surface Tension:	49.6 dyne/cm	Density:	1.254 g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

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