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1,3-Cyclopentanediol

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Name

1,3-Cyclopentanediol

EINECS 261-880-1
CAS No. 59719-74-3 Density 1.235 g/cm3
PSA 40.46000 LogP -0.10790
Solubility N/A Melting Point 40 °C(lit.)
Formula C5H10O2 Boiling Point 279.9 °C at 760 mmHg
Molecular Weight 102.133 Flash Point 120.2 °C
Transport Information N/A Appearance clear colorless to slightly yellow liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 59719-74-3 (1,3-Cyclopentanediol) Hazard Symbols N/A
Synonyms

1,3-Dihydroxycyclopentane;3-Hydroxycyclopentanol;NSC 351119;

Article Data 21

1,3-Cyclopentanediol 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

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