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4-(tert-Butyl)-2-ethoxybenzoic acid

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Name

4-(tert-Butyl)-2-ethoxybenzoic acid

EINECS N/A
CAS No. 796875-53-1 Density 1.062 g/cm3
PSA 46.53000 LogP 3.08100
Solubility N/A Melting Point N/A
Formula C13H18O3 Boiling Point 329.6 °C at 760 mmHg
Molecular Weight 222.284 Flash Point 118.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 796875-53-1 (4-(t-Butyl)-2-Ethoxy Benzoic Acid) Hazard Symbols N/A
Synonyms

4-(t-Butyl)-2-ethoxy benzoic acid;

Article Data 2

4-(tert-Butyl)-2-ethoxybenzoic acid Specification

The Benzoicacid, 4-(1,1-dimethylethyl)-2-ethoxy-, with the CAS registry number of 796875-53-1, is also known as 4-(t-Butyl)-2-ethoxy benzoic acid. This chemical's molecular formula is C13H18O3 and molecular weight is 222.28022. What's more, its systematic name is called 4-Tert-butyl-2-ethoxy-benzoic acid.

Physical properties about the Benzoicacid, 4-(1,1-dimethylethyl)-2-ethoxy- are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 2.6; (3)ACD/LogD (pH 7.4): 0.95; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 46.53 Å2; (8)Index of Refraction: 1.513; (9)Molar Refractivity: 62.88 cm3; (10)Molar Volume: 209.1 cm3; (11)Surface Tension: 36.4 dyne/cm; (12)Density: 1.062 g/cm3; (13)Flash Point: 118.9 °C; (14)Enthalpy of Vaporization: 60.39 kJ/mol; (15)Boiling Point: 329.6 °C at 760 mmHg; (16)Vapour Pressure: 7.07E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOc1cc(ccc1C(O)=O)C(C)(C)C
(2) InChI: InChI=1/C13H18O3/c1-5-16-11-8-9(13(2,3)4)6-7-10(11)12(14)15/h6-8H,5H2,1-4H3,(H,14,15)
(3) InChIKey: UZRSFWUQUGFVBS-UHFFFAOYAP

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