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Search term: BBFCQQTZKFDANQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | ({2,5,7,8-Tetramethyl-2-[(octyloxy)carbonyl]-3,4-dihydro-2H-chromen-6-yl}oxy)acetic acid | C24H36O6

({2,5,7,8-Tetramethyl-2-[(octyloxy)carbonyl]-3,4-dihydro-2H-chromen-6-yl}oxy)acetic acid

  • Molecular FormulaC24H36O6
  • Average mass420.539 Da
  • Monoisotopic mass420.251190 Da
  • ChemSpider ID30815184

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

({2,5,7,8-Tetramethyl-2-[(octyloxy)carbonyl]-3,4-dihydro-2H-chromen-6-yl}oxy)acetic acid [ACD/IUPAC Name]
({2,5,7,8-Tetramethyl-2-[(octyloxy)carbonyl]-3,4-dihydro-2H-chromen-6-yl}oxy)essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-carboxylic acid, 6-(carboxymethoxy)-3,4-dihydro-2,5,7,8-tetramethyl-, 2-octyl ester [ACD/Index Name]
Acide ({2,5,7,8-tétraméthyl-2-[(octyloxy)carbonyl]-3,4-dihydro-2H-chromén-6-yl}oxy)acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 537.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 174.1±23.6 °C
Index of Refraction: 1.515
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 266.53
ACD/KOC (pH 5.5): 431.98
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 11.90
ACD/KOC (pH 7.4): 19.29
Polar Surface Area: 82 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 382.8±3.0 cm3

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