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| CAS No.: | 32936-76-8 |
|---|---|
| Name: | 1-Methylcyclobutanecarboxylic acid |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C6H10O2 |
| Molecular Weight: | 114.144 |
| Synonyms: | 1-Methylcyclobutane-1-carboxylic acid |
| Density: | 1.123 g/cm3 |
| Melting Point: | 203oC |
| Boiling Point: | 203.545 °C at 760 mmHg |
| Flash Point: | 91.82 °C |
| PSA: | 37.30000 |
| LogP: | 1.26120 |
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- Total:38 Page 1 of 1 1
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Specification
The CAS register number of 1-Methylcyclobutanecarboxylic acid is 32936-76-8. The systematic name about this chemical is 1-methylcyclobutanecarboxylic acid. The molecular formula about this chemical is C6H10O2 and the molecular weight is 114.14.
Physical properties about 1-Methylcyclobutanecarboxylic acid are: (1)ACD/LogP: 0.98; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 25; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3Å2; (11)Index of Refraction: 1.486; (12)Molar Refractivity: 29.168 cm3; (13)Molar Volume: 101.65 cm3; (14)Polarizability: 11.563x10-24cm3; (15)Surface Tension: 42.243 dyne/cm; (16)Enthalpy of Vaporization: 48.467 kJ/mol; (17)Boiling Point: 203.545 °C at 760 mmHg; (18)Vapour Pressure: 0.114 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C1(C)CCC1
(2)InChI: InChI=1/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
(3)InChIKey: GCZGQVRHZLOCDD-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
(5)Std. InChIKey: GCZGQVRHZLOCDD-UHFFFAOYSA-N