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| CAS No.: | 42185-61-5 |
|---|---|
| Name: | 2-Methyl cyclobutanecarboxylic acid |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C6H10O2 |
| Molecular Weight: | 114.144 |
| Synonyms: | 2-METHYL CYCLOBUTANECARBOXYLIC ACID |
| Density: | 1.105 g/cm3 |
| Boiling Point: | 194 °C at 760 mmHg |
| Flash Point: | 87.7 °C |
| Appearance: | Colorless liquid |
| PSA: | 37.30000 |
| LogP: | 1.11710 |
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- Total:15 Page 1 of 1 1
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Specification
The systematic name of this chemical is 2-Methyl cyclobutanecarboxylic acid. It has CAS registry number 42185-61-5. In addition, its molecular formula is C6H10O2 and molecular weight is 114.1424.
Physical properties about the 2-Methyl cyclobutanecarboxylic acid are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.83; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 29.26 cm3; (15)Molar Volume: 103.2 cm3; (16)Surface Tension: 39.5 dyne/cm; (17)Density: 1.105 g/cm3; (18)Flash Point: 87.7 °C; (19)Enthalpy of Vaporization: 47.42 kJ/mol; (20)Boiling Point: 194 °C at 760 mmHg; (21)Vapour Pressure: 0.196 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1CCC1C
(2) InChI: InChI=1/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
(3) InChIKey: ZQUWTFVQYAVBJZ-UHFFFAOYAT