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| CAS No.: | 156779-05-4 |
|---|---|
| Name: | OCTANOIC-8,8,8-D3 ACID |
| Molecular Structure: | |
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| Formula: | C8H13D3O2 |
| Molecular Weight: | 147.23 |
| Synonyms: | OCTANOIC-8,8,8-D3 ACID;OCTANOIC ACID-8,8,8-D3;CAPRYLIC ACID-8,8,8-D3;Octanoic-d3 Acid |
| Density: | 0.949 g/cm3 |
| Melting Point: | 16 °C(lit.) |
| Boiling Point: | 239.33 °C at 760 mmHg |
| Flash Point: | 107.379 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/39-45 |
| PSA: | 37.30000 |
| LogP: | 2.43150 |
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Specification
The Octanoic-8,8,8-d3 acid(9CI) is an organic compound with the formula C8H13D3O2. The systematic name of this chemical is (8,8,8-2H3)Octanoic acid. With the CAS registry number 156779-05-4, it is also named as Caprylic Acid.
Physical properties about Octanoic-8,8,8-d3 acid(9CI) are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 0.146; (4)ACD/BCF (pH 5.5): 11.324; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 117.554; (7)ACD/KOC (pH 7.4): 1.887; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.437; (13)Molar Refractivity: 40.676 cm3; (14)Molar Volume: 155.215 cm3; (15)Polarizability: 16.125×10-24cm3; (16)Surface Tension: 33.075 dyne/cm; (17)Density: 0.949 g/cm3; (18)Flash Point: 107.379 °C; (19)Enthalpy of Vaporization: 50.325 kJ/mol; (20)Boiling Point: 239.33 °C at 760 mmHg; (21)Vapour Pressure: 0.022 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])CCCCCCC(=O)O
(2)InChI: InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3
(3)InChIKey: WWZKQHOCKIZLMA-FIBGUPNXEE
(4)Std. InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3
(5)Std. InChIKey: WWZKQHOCKIZLMA-FIBGUPNXSA-N