84604-50-2

The Cyclopentanol,3-pentyl-, 1-propanoate, with the CAS registry number 84604-50-2, is also known as 3-Pentylcyclopentyl propanoate. Its EINECS registry number is 283-331-5. This chemical's molecular formula is C₁₃H₂₄O₂ and molecular weight is 212.32846. What's more, its IUPAC name is called (3-Pentylcyclopentyl) propanoate.

Physical properties about Cyclopentanol,3-pentyl-, 1-propanoate are: (1) ACD/LogP: 4.82; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.82; (4) ACD/LogD (pH 7.4): 4.82; (5) ACD/BCF (pH 5.5): 2716.79; (6) ACD/BCF (pH 7.4): 2716.79; (7) ACD/KOC (pH 5.5): 9992.92; (8) ACD/KOC (pH 7.4): 9992.92; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 26.3 Å²; (13) Index of Refraction: 1.453; (14) Molar Refractivity: 62 cm³; (15) Molar Volume: 229 cm³; (16) Surface Tension: 31.4 dyne/cm; (17) Density: 0.92 g/cm³; (18) Flash Point: 113.6 °C; (19) Enthalpy of Vaporization: 49.8 kJ/mol; (20) Boiling Point: 260.3 °C at 760 mmHg; (21) Vapour Pressure: 0.0123 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CC(CCCCC)CC1)CC
(2) InChI: InChI=1/C13H24O2/c1-3-5-6-7-11-8-9-12(10-11)15-13(14)4-2/h11-12H,3-10H2,1-2H3
(3) InChIKey: BWSWHVCPJCKMRH-UHFFFAOYAW