Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Octenoic acid |
EINECS | N/A |
CAS No. | 18719-24-9 | Density | 0.946g/cm3 |
PSA | 37.30000 | LogP | 2.20750 |
Solubility | N/A | Melting Point |
1.7°C (estimate) |
Formula | C8H14O2 | Boiling Point | 242.1 °C at 760 mmHg |
Molecular Weight | 142.198 | Flash Point | 139.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45-61 | Risk Codes | 22-34-41-50 |
Molecular Structure | Hazard Symbols | C,N | |
Synonyms |
OCTENOIC ACID (7-);7-OCTENOIC ACID |
Article Data | 4 |
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.
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