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Search term: SLUNEGLMXGHOLY-UHFFFAOYAN
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Inherent Properties, Identifiers and References
ChemSpider ID: 99290
Empirical Formula: C12H20
Molecular Weight: 164.2872
Nominal Mass: 164 Da
Average Mass: 164.2872 Da
Monoisotopic Mass: 164.156501 Da
Systematic Name: benzene; hexane
SMILES: c1ccccc1.C(CCCC)C
InChI: InChI=1/C6H6.C6H14/c1-2-4-6-5-3-1;1-3-5-6-4-2/h1-6H;3-6H2,1-2H3
InChIKey: SLUNEGLMXGHOLY-UHFFFAOYAN
Std. InChI: InChI=1S/C6H6.C6H14/c1-2-4-6-5-3-1;1-3-5-6-4-2/h1-6H;3-6H2,1-2H3
Std. InChIKey: SLUNEGLMXGHOLY-UHFFFAOYSA-N
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271-738-0 [EINECS/ELINCS]

68606-28-0 [RN]

Hydrocarb​ons, C5 a​nd C10-al​iph. and ​C6-8-arom.

Polyalkyl​atedbenze​ne mix

ACD/LogP: 3.94 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.94 ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 5.5): 584.95 ACD/BCF (pH 7.4): 584.95
ACD/KOC (pH 5.5): 3328.94 ACD/KOC (pH 7.4): 3328.94
#H bond acceptors: 0 #H bond donors: 0
#Freely Rotating Bonds: 3 Polar Surface Area: 0 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: 28.85 kJ/mol
Boiling Point: 68.5 °C at 760 mmHg Vapour Pressure: 151 mmHg at 25°C