Basic information
- Name:
1,2-Cyclohexanediol,1,2-diacetate, (1R,2R)-rel-
- Superlist Name:
- cis-1,2-Cyclohexanediol diacetate
- CAS No.:
1759-71-3
- Molecular Structure:
- Formula:
- C10H16O4
- Molecular Weight:
- 200.23
- Synonyms:
- 1,2-Cyclohexanediol,diacetate, (1R,2R)-rel- (9CI);1,2-Cyclohexanediol, diacetate, trans- (8CI);
- Density:
- 1.092 g/cm3
- Boiling Point:
- 249.661 °C at 760 mmHg
- Flash Point:
- 115.443 °C
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Specification
The CAS register number of cis-1,2-Cyclohexanediol diacetate is 1759-71-3. It also can be called as 1,2-Cyclohexanediol diacetate, trans- and the IUPAC name about this chemical is (2-acetyloxycyclohexyl) acetate.
Physical properties about cis-1,2-Cyclohexanediol diacetate are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1.56; (3)ACD/LogD (pH 7.4): 1.56; (4)ACD/BCF (pH 5.5): 9.06; (5)ACD/BCF (pH 7.4): 9.06; (6)ACD/KOC (pH 5.5): 168.51; (7)ACD/KOC (pH 7.4): 168.51; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6Å2; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 49.97 cm3; (13)Molar Volume: 183.2 cm3; (14)Polarizability: 19.8x10-24cm3; (15)Surface Tension: 35.6 dyne/cm; (16)Enthalpy of Vaporization: 48.69 kJ/mol; (17)Boiling Point: 249.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0226 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CCCCC1OC(=O)C)C
(2)InChI: InChI=1/C10H16O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h9-10H,3-6H2,1-2H3
(3)InChIKey: NSTPWRQTPXJRSP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H16O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h9-10H,3-6H2,1-2H3
(5)Std. InChIKey: NSTPWRQTPXJRSP-UHFFFAOYSA-N