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| CAS No.: | 18719-24-9 |
|---|---|
| Name: | 7-Octenoic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H14O2 |
| Molecular Weight: | 142.198 |
| Synonyms: | OCTENOIC ACID (7-);7-OCTENOIC ACID |
| Density: | 0.946g/cm3 |
| Melting Point: | 1.7°C (estimate) |
| Boiling Point: | 242.1 °C at 760 mmHg |
| Flash Point: | 139.4 °C |
| Hazard Symbols: | C,N |
| Risk Codes: | 22-34-41-50 |
| Safety: | 26-36/37/39-45-61 |
| PSA: | 37.30000 |
| LogP: | 2.20750 |
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Specification
The 7-Octenoic acid, with CAS registry number 18719-24-9, has the systematic name of oct-7-enoic acid. Besides this, it is also called Octenoic acid (7-). And the chemical formula of this chemical is C8H14O2.
Physical properties of 7-Octenoic acid: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 6.12; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 75.3; (8)ACD/KOC (pH 7.4): 1.21; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 40.4 cm3; (15)Molar Volume: 150.3 cm3; (16)Polarizability: 16.01×10-24cm3; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.946 g/cm3; (19)Flash Point: 139.4 °C; (20)Enthalpy of Vaporization: 52.76 kJ/mol; (21)Boiling Point: 242.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0115 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-Trimethylsiloxy-bicyclo[5.1.0]octan. This reaction will need reagent H2O.
![7-Octenoic acid can be prepared by 1-Trimethylsiloxy-bicyclo[5.1.0]octan](/UserFilesUpload/preparation of 7-Octenoic acid.jpg)
Uses of 7-Octenoic acid: it can be used to produce 8-bromo-octanoic acid. This reaction will need reagents HBr, azoisobutyronitrile and solvent light petroleum. The reaction time is 30 min. The yield is about 69%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCC/C=C
(2)InChI: InChI=1/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2,(H,9,10)
(3)InChIKey: OZYYQTRHHXLTKX-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2,(H,9,10)
(5)Std. InChIKey: OZYYQTRHHXLTKX-UHFFFAOYSA-N