| Identification | |
| Name: | Benzeneacetic acid,pentyl ester |
| Synonyms: | Aceticacid, phenyl-, pentyl ester (6CI,7CI,8CI);Amyl phenylacetate;NSC 46135;Pentyl phenylacetate; |
| CAS: | 5137-52-0 |
| EINECS: | 225-895-7 |
| Molecular Formula: | C13H18O2 |
| Molecular Weight: | 206.28 |
| InChI: | InChI=1/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.99 g/cm3 |
| Refractive index: | 1.495 |
| Specification: |
The Pentyl phenylacetate with the CAS number 5137-52-0 is also called Benzeneacetic acid,pentyl ester. The IUPAC name is pentyl 2-phenylacetate. Its molecular formula is C13H18O2. The EINECS registry number is 225-895-7. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the Pentyl phenylacetate are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 757.58; (6)ACD/BCF (pH 7.4): 757.58; (7)ACD/KOC (pH 5.5): 4005.88; (8)ACD/KOC (pH 7.4): 4005.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 60.74 cm3; (15)Molar Volume: 208.2 cm3; (16)Polarizability: 24.07×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Enthalpy of Vaporization: 51.91 kJ/mol; (19)Vapour Pressure: 0.0038 mmHg at 25°C. Preparation: This chemical can be prepared by the reaction of phenylacetic acid and pentan-1-ol. This reaction needs reagent zeolite RE H-Y at temperature of 150 °C. The reaction time is 8.0 hours. The yield is 95%. You can still convert the following datas into molecular structure: |
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