Cyclopentanone,3-phenyl- supplier

Name
3-PHENYLCYCLOPENTANONE
EINECS
CAS No. 64145-51-3
Article Data172
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O
Boiling Point 276.102 °C at 760 mmHg
Molecular Weight 160.216
Flash Point 114.891 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Phenylcyclopentanone;
PSA 17.07000
LogP 2.52320

Cyclopentanone,3-phenyl- Specification

The CAS registry number of Cyclopentanone,3-phenyl- is 64145-51-3. This chemical's molecular formula is C₁₁H₁₂O and molecular weight is 160.2124. What's more, its systematic name is 3-Phenylcyclopentanone.

Physical properties about Cyclopentanone,3-phenyl- are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 260; (8)ACD/KOC (pH 7.4): 260; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 47.633 cm³; (15)Molar Volume: 149.398 cm³; (16)Polarizability: 18.883×10^-24cm³; (17)Surface Tension: 40.805 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 114.891 °C; (20)Enthalpy of Vaporization: 51.459 kJ/mol; (21)Boiling Point: 276.102 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CC(c1ccccc1)CC2
(2) InChI: InChI=1/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
(3) InChIKey: MFBXYJLOYZMFIN-UHFFFAOYAP

Product Name

3-PHENYLCYCLOPENTANONE

Cyclopentanone,3-phenyl- Specification

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