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CAS No.: | 72402-00-7 |
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Name: | PLINOL |
Molecular Structure: | |
Formula: | C10H18O |
Molecular Weight: | 154.252 |
Synonyms: | Cyclopentanol,3-isopropenyl-1,2-dimethyl- (7CI);Plinol; |
EINECS: | 276-639-6 |
Density: | 0.909 g/cm3 |
Boiling Point: | 205.2 °C at 760 mmHg |
Flash Point: | 84.8 °C |
Solubility: | 1.482g/L(23.5 oC) |
PSA: | 20.23000 |
LogP: | 2.35960 |
The Cyclopentanol,1,2-dimethyl-3-(1-methylethenyl)-, with the CAS registry number 72402-00-7, is also known as Cyclopentanol,3-isopropenyl-1,2-dimethyl- (7CI). Its EINECS registry number is 276-639-6. This chemical's molecular formula is C10H18O and molecular weight is 154.2493. What's more, its IUPAC name is 1,2-Dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol.
Physical properties about Cyclopentanol,1,2-dimethyl-3-(1-methylethenyl)- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.81; (6)ACD/BCF (pH 7.4): 92.81; (7)ACD/KOC (pH 5.5): 891.28; (8)ACD/KOC (pH 7.4): 891.28; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 47.34 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 18.76×10-24 cm3; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.909 g/cm3; (19)Flash Point: 84.8 °C; (20)Enthalpy of Vaporization: 51.35 kJ/mol; (21)Boiling Point: 205.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0605 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC1(C)CCC(/C(=C)C)C1C
(2) InChI: InChI=1/C10H18O/c1-7(2)9-5-6-10(4,11)8(9)3/h8-9,11H,1,5-6H2,2-4H3
(3) InChIKey: ZRVPDCMGGOSDKG-UHFFFAOYAX