3-(4-ETHYLPHENYL)PROPIONIC ACID

The CAS register number of Benzenepropanoic acid,4-ethyl- is 64740-36-9. It also can be called as 3-(4-Ethylphenyl)propionic acid and the systematic name about this chemical is 3-(4-ethylphenyl)propanoic acid. The molecular formula about this chemical is C₁₁H₁₄O₂ and the molecular weight is 178.23. It belongs to the following product categorie which include Aromatic Propionic Acids.

Physical properties about Benzenepropanoic acid,4-ethyl- are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 11.13; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 110.23; (7)ACD/KOC (pH 7.4): 1.74; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 51.54 cm³; (14)Molar Volume: 166.2 cm³; (15)Polarizability: 20.43x10^-24cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.072 g/cm³; (18)Flash Point: 201.1 °C; (19)Enthalpy of Vaporization: 57.48 kJ/mol; (20)Boiling Point: 304 °C at 760 mmHg; (21)Vapour Pressure: 0.000395 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1ccc(cc1)CC
(2)InChI: InChI=1/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
(3)InChIKey: MUQCDEGKKWQCAO-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
(5)Std. InChIKey: MUQCDEGKKWQCAO-UHFFFAOYSA-N