Product Name

  • Name

    1-butyl-5-carboxypentyl 5-decenoate

  • EINECS 286-863-6
  • CAS No. 85392-05-8
  • Density 0.97 g/cm3
  • Solubility
  • Melting Point
  • Formula C20H36O4
  • Boiling Point 463 °C at 760 mmHg
  • Molecular Weight 340.4974
  • Flash Point 150.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 85392-05-8 (1-butyl-5-carboxypentyl 5-decenoate)
  • Hazard Symbols
  • Synonyms 1-Butyl-5-carboxypentyl 5-decenoate;
  • PSA 63.60000
  • LogP 5.65010

5-Decenoic acid,1-butyl-5-carboxypentyl ester Specification

The CAS registry number of 5-Decenoic acid,1-butyl-5-carboxypentyl ester is 85392-05-8. The IUPAC name is 1-Butyl-5-carboxypentyl 5-decenoate. Its EINECS registry number is 286-863-6. In addition, the formula is C20H36O4 and the molecular weight is 340.4974.

Physical properties about this chemical are: (1)ACD/LogP: 6.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 3.89; (5)ACD/BCF (pH 5.5): 7814.48; (6)ACD/BCF (pH 7.4): 124.29; (7)ACD/KOC (pH 5.5): 12315.92; (8)ACD/KOC (pH 7.4): 195.89; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 98.06 cm3; (15)Molar Volume: 350.7 cm3; (16)Polarizability: 38.87 ×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 150.6 °C; (20)Enthalpy of Vaporization: 79.36 kJ/mol; (21)Boiling Point: 463 °C at 760 mmHg; (22)Vapour Pressure: 7.38E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCC(OC(=O)CCC/C=C/CCCC)CCCC
(2)InChI: InChI=1/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h8-9,18H,3-7,10-17H2,1-2H3,(H,21,22)/b9-8+
(3)InChIKey: OKPRNPZBHHJXBQ-CMDGGOBGBP

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