| Identification | |
| Name: | Benzeneacetic acid,potassium salt (1:1) |
| Synonyms: | Aceticacid, phenyl-, potassium salt (8CI);Benzeneacetic acid, potassium salt (9CI); |
| CAS: | 13005-36-2 |
| EINECS: | 235-845-6 |
| Molecular Formula: | C8H7KO2 |
| Molecular Weight: | 174.24 |
| InChI: | InChI=1/C8H8O2.K/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 76.5 deg C |
| Density: | 1.257g/cm3 |
| Solubility: | Slightly sol in cold water, freely in hot water; sol in alcohol and ether; 4.422 moles/L in chloroform at 25 deg C; 1.842 moles/L in carbon tetrachloride at 25 deg C; 4.513 moles/L in acetylene tetrachloride at 25 deg C; 3.29 moles/L in trichlorethylene at 25 deg C; 1.558 moles/L in tetrachlorethylene at 25 deg C; 3.252 moles/L in pentachloroethane at 25 deg C Very soluble in ethanol, ethyl ether, carbon disulfide; soluble in acetone; slightly soluble in chloroform; insoluble in ligroin< |
| Appearance: | colorless transparent liquid |
| Specification: |
The Potassium phenylacetate, with the CAS registry number 13005-36-2 and EINECS registry number 235-845-6, has the IUPAC name of potassium 2-phenylacetate. The molecular formula of the chemical is C8H7KO2. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2 ; (13)Flash Point: 156.2 °C; (14)Enthalpy of Vaporization: 53.18 kJ/mol; (15)Boiling Point: 265.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00456 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Color: | Leaflets on distillation in-vacuo; plates, tablets from petroleum ether Shiny, white plate crystals |
| Safety Data | |
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