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| CAS No.: | 59719-74-3 |
|---|---|
| Name: | 1,3-Cyclopentanediol |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C5H10O2 |
| Molecular Weight: | 102.133 |
| Synonyms: | 1,3-Dihydroxycyclopentane;3-Hydroxycyclopentanol;NSC 351119; |
| EINECS: | 261-880-1 |
| Density: | 1.235 g/cm3 |
| Melting Point: | 40 °C(lit.) |
| Boiling Point: | 279.9 °C at 760 mmHg |
| Flash Point: | 120.2 °C |
| Appearance: | clear colorless to slightly yellow liquid |
| Safety: | 24/25 |
| PSA: | 40.46000 |
| LogP: | -0.10790 |
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- Total:37 Page 1 of 1 1
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Specification
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: 18.46Å2; (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