Product Name

  • Name

    trans-4-Heptylcyclohexanecarboxylic acid

  • EINECS
  • CAS No. 38289-31-5
  • Density 0.947 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H26O2
  • Boiling Point 337.4 °C at 760 mmHg
  • Molecular Weight 226.359
  • Flash Point 163.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 38289-31-5 (trans-4-Heptylcyclohexanecarboxylic acid)
  • Hazard Symbols
  • Synonyms trans-4-Heptylcyclohexane-1-carboxylicacid;trans-4-Heptylcyclohexanecarboxylic acid;trans-4-Heptylcyclohexylcarboxylicacid;
  • PSA 37.30000
  • LogP 4.23790

Cyclohexanecarboxylic acid, 4-heptyl-, trans- Specification

The Cyclohexanecarboxylic acid, 4-heptyl-, trans-, with the CAS registry number 38289-31-5, is also known as trans-4-Heptylcyclohexane-1-carboxylicacid and trans-4-Heptylcyclohexanecarboxylic acid. This chemical's molecular formula is C14H26O2 and molecular weight is 226.35. What's more, its systematic name is Cyclohexanecarboxylic acid, 4-heptyl-, trans-.

Physical properties about Cyclohexanecarboxylic acid, 4-heptyl-, trans- are: (1) ACD/LogP: 5.45; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 4.86; (4) ACD/LogD (pH 7.4): 3.1; (5) ACD/BCF (pH 5.5): 2101.2; (6) ACD/BCF (pH 7.4): 36.8; (7) ACD/KOC (pH 5.5): 5640.54; (8) ACD/KOC (pH 7.4): 98.8; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 37.3 Å2; (13) Index of Refraction: 1.467; (14) Molar Refractivity: 66.26 cm3; (15) Molar Volume: 238.8 cm3; (16) Polarizability: 26.27×10-24 cm3; (17) Surface Tension: 34.6 dyne/cm; (18) Density: 0.947 g/cm3; (19) Flash Point: 163.9 °C; (20) Enthalpy of Vaporization: 63.81 kJ/mol; (21) Boiling Point: 337.4 °C at 760 mmHg; (22) Vapour Pressure: 1.97E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCCC[C@H]1CC[C@@H](CC1)C(=O)O
(2) InChI: InChI=1/C14H26O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h12-13H,2-11H2,1H3,(H,15,16)/t12-,13-
(3) InChIKey: JMAUQQIVJIRNDQ-JOCQHMNTBK

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