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| CAS No.: | 37828-19-6 |
|---|---|
| Name: | 1-Phenylcyclobutanecarboxylic acid |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C11H12O2 |
| Molecular Weight: | 176.215 |
| Synonyms: | Phenylcyclobutane-1-carboxylic acid;NSC 125693; |
| Density: | 1.208 g/cm3 |
| Melting Point: | 100-102℃ |
| Boiling Point: | 323.9 °C at 760 mmHg |
| Flash Point: | 149.2 °C |
| PSA: | 37.30000 |
| LogP: | 2.19290 |
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Specification
The CAS register number of 1-Phenylcyclobutanecarboxylic acid is 37828-19-6. It also can be called as Phenylcyclobutane-1-carboxylic acid. The molecular formula about this chemical is C11H12O2 and the molecular weight is 176.21. It belongs to the following product categories which include Acids and Derivatives; API intermediates; Carboxylic Acids; Phenyls & Phenyl-Het and so on.
Physical properties about 1-Phenylcyclobutanecarboxylic acid are:(1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 0.97; (3)ACD/BCF (pH 5.5): 1.71; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 24.22; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 48.9 cm3; (13)Molar Volume: 145.8 cm3; (14)Polarizability: 19.38x10-24cm3; (15)Surface Tension: 52.6 dyne/cm; (16)Density: 1.208 g/cm3; (17)Flash Point: 149.2 °C; (18)Enthalpy of Vaporization: 59.73 kJ/mol; (19)Boiling Point: 323.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000104 mmHg at 25 °C.
(1)SMILES: O=C(O)C2(c1ccccc1)CCC2
(2)InChI: InChI=1/C11H12O2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
(3)InChIKey: JHZRNLRTNIDFKG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H12O2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
(5)Std. InChIKey: JHZRNLRTNIDFKG-UHFFFAOYSA-N