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| CAS No.: | 825-54-7 |
|---|---|
| Name: | 1-Phenylcyclopentene |
| Article Data: | 81 |
| Molecular Structure: | |
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| Formula: | C11H12 |
| Molecular Weight: | 144.216 |
| Synonyms: | (1-Cyclopenten-1-yl)benzene;1-Phenyl-1-cyclopentene;1-Phenylcyclopentene;NSC 116894;cyclopent-1-en-1-ylbenzene;Benzene, 1-cyclopenten-1-yl-;1-Phenylcyclopentene;cyclopent-1-en-1-ylbenzene;cyclopenten-1-ylbenzene; |
| Density: | 1 g/cm3 |
| Melting Point: | 22 °C |
| Boiling Point: | 224.9 °C at 760 mmHg |
| Flash Point: | 83.5 °C |
| PSA: | 0.00000 |
| LogP: | 3.25390 |
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Specification
The 1-Phenylcyclopentene, with the CAS registry number 825-54-7, has the systematic name of cyclopent-1-en-1-ylbenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H12.
The characteristics of 1-Phenylcyclopentene are as followings: (1)/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 440.09; (6)ACD/BCF (pH 7.4): 440.09; (7)ACD/KOC (pH 5.5): 2715.51; (8)ACD/KOC (pH 7.4): 2715.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 47.1 cm3; (15)Molar Volume: 144.1 cm3; (16)Polarizability: 18.67×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1 g/cm3; (19)Flash Point: 83.5 °C; (20)Enthalpy of Vaporization: 44.27 kJ/mol; (21)Boiling Point: 224.9 °C at 760 mmHg; (22)Vapour Pressure: 0.133 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c2ccc(/C1=C/CCC1)cc2
(2)InChI: InChI=1/C11H12/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-8H,4-5,9H2
(3)InChIKey: CXMYOMKBXNPDIW-UHFFFAOYAT