Basic Information | Post buying leads | Suppliers |
Name |
Calcium Caprylate |
EINECS | 228-067-3 |
CAS No. | 6107-56-8 | Density | 1.18 |
PSA | N/A | LogP | N/A |
Solubility | 1.9g/L at 20℃ | Melting Point |
238℃ |
Formula | C16H30CaO4 | Boiling Point | 239.3 °C at 760 mmHg |
Molecular Weight | 344.50 | Flash Point | 107.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Octanoicacid, calcium salt (8CI,9CI);Calcium caprylate;Calcium octanoate;Calciumoctoate;Calcium octylate;Caprylic acid, calcium salt;Octlife Ca; |
This chemical is called Octanoic acid, calciumsalt (2:1), and it can also be named as Calcium octanoate. With the molecular formula of C16H30CaO4, its molecular weight is 344.50. The CAS registry number of this chemical is 6107-56-8.
Other characteristics of the Octanoic acid, calciumsalt (2:1) can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 15.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 145.03; (8)ACD/KOC (pH 7.4): 2.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 107.4 °C; (14)Enthalpy of Vaporization: 50.32 kJ/mol; (15)Boiling Point: 239.3 °C at 760 mmHg; (16)Vapour Pressure: 0.022 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [Ca+2].[O-]C(=O)CCCCCCC.[O-]C(=O)CCCCCCC
2.InChI: InChI=1/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
3.InChIKey: NDWWLJQHOLSEHX-NUQVWONBAF