1,3-CYCLOPENTANEDIOL

1,3-Cyclopentanediol (cis- and trans- Mixture) 1,3-CYCLOPENTANEDIOL (CIS+TRANS) 1,3-Cyclopentanediol, mixture of cis and trans 1,3-Dihydroxycyclopentane 1,3-Dihydroxycyclopentane (cis- and trans- mixture) 3-Hydroxycyclopentanol cyclopentane-1,3-diol EINECS 261-880-1 MFCD00001367 NSC 351119

The CAS register number of 1,3-Cyclopentanediol is 59719-74-3. It also can be called as 1,3-Dihydroxycyclopentane and the IUPAC name about this chemical is cyclopentane-1,3-diol. The molecular formula about this chemical is C₅H₁₀O₂ and the molecular weight is 102.13. It belongs to the following product categories, such as Organic Building Blocks; Oxygen Compounds; Polyols and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 1,3-Cyclopentanediol are: (1)ACD/LogP: -0.86; (2)ACD/LogD (pH 5.5): -0.86; (3)ACD/LogD (pH 7.4): -0.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.16; (7)ACD/KOC (pH 7.4): 8.16; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46Ų; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 26.23 cm³; (14)Molar Volume: 82.6 cm³; (15)Polarizability: 10.4x10^-24cm³; (16)Surface Tension: 44.5 dyne/cm; (17)Enthalpy of Vaporization: 60.2 kJ/mol; (18)Boiling Point: 279.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000469 mmHg at 25°C.

Uses of 1,3-Cyclopentanediol: it can be used to produce trans-1,3-dibromocyclopentane and cis-Cyclopentandibromid at temperature of 80 ℃. This reaction will need reagentphosphorous tribromide with reaction time of 4 hours. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCC(O)C1
(2)InChI: InChI=1/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2
(3)InChIKey: NUUPJBRGQCEZSI-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2
(5)Std. InChIKey: NUUPJBRGQCEZSI-UHFFFAOYSA-N