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5-(4-Fluorophenyl)-4-pentenoic acid

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Name

5-(4-Fluorophenyl)-4-pentenoic acid

EINECS N/A
CAS No. 190595-67-6 Density 1.196 g/cm3
PSA 37.30000 LogP 2.70370
Solubility N/A Melting Point 315°C
Formula C11H11FO2 Boiling Point 351.5 °C at 760 mmHg
Molecular Weight 194.20 Flash Point 166.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 190595-67-6 (5-(4-Fluorophenyl)-4-pentenoic acid) Hazard Symbols N/A
Synonyms

4-Pentenoicacid, 5-(4-fluorophenyl)-, (E)-;4-pentenoic acid, 5-(4-fluorophenyl)-;5-(4-Fluorophenyl)pent-4-enoic acid;

 

5-(4-Fluorophenyl)-4-pentenoic acid Specification

The 5-(4-Fluorophenyl)-4-pentenoic acid, with the CAS registry number 190595-67-6, has the systematic name of 4-pentenoic acid, 5-(4-fluorophenyl)-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C11H11FO2.

The characteristics of 5-(4-Fluorophenyl)-4-pentenoic acid are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 3.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 52.96 cm3; (15)Molar Volume: 162.2 cm3; (16)Polarizability: 20.99×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 166.4 °C; (20)Enthalpy of Vaporization: 62.92 kJ/mol; (21)Boiling Point: 351.5 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1C=CCCC(=O)O)F
(2)InChI: InChI=1/C11H11FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1,3,5-8H,2,4H2,(H,13,14)
(3)InChIKey: RFDQZGBDIZQZKE-UHFFFAOYAN

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