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cis-1,2-Cyclopentanediol

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Name

cis-1,2-Cyclopentanediol

EINECS N/A
CAS No. 5057-98-7 Density 1.235g/cm3
PSA 40.46000 LogP -0.10790
Solubility N/A Melting Point 24-28 °C(lit.)
Formula C5H10O2 Boiling Point 216.4 °C at 760 mmHg
Molecular Weight 102.133 Flash Point 112.8 °C
Transport Information N/A Appearance colourless liquid or white solid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 5057-98-7 (CIS-1,2-CYCLOPENTANEDIOL) Hazard Symbols N/A
Synonyms

1,2-Cyclopentanediol,cis- (8CI);1,2-cis-Cyclopentanediol;cis-1,2-Cyclopentanediol;cis-1,2-Dihydroxycyclopentane;meso-1,2-Cyclopentanediol;

Article Data 9

cis-1,2-Cyclopentanediol Specification

The cis-1,2-Cyclopentanediol with the CAS number 5057-98-7 is also called 1,2-Cyclopentanediol,(1R,2S)-rel-. The IUPAC name is (1S,2R)-cyclopentane-1,2-diol. Its molecular formula is C5H10O2. This chemical belongs to the following product categories: (1)Alcohols; (2)Monomers; (3)Polymer Science; (4)Organic Building Blocks; (5)Oxygen Compounds; (6)Polyols. While using this chemical, you should avoid this chemical contact with skin and eyes.

The properties of the cis-1,2-Cyclopentanediol are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.25; (8)ACD/KOC (pH 7.4): 14.25; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 26.23 cm3; (15)Molar Volume: 82.6 cm3; (16)Polarizability: 10.4×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Enthalpy of Vaporization: 52.65 kJ/mol; (19)Vapour Pressure: 0.0304 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1CCC[C@H]1O
(2)InChI: InChI=1/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5+
(3)InChIKey: VCVOSERVUCJNPR-SYDPRGILBS

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