Basic Information | Post buying leads | Suppliers |
Name |
Butanedioic acid,1,4-didocosyl ester |
EINECS | 236-754-4 |
CAS No. | 13475-47-3 | Density | 0.888 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C48H94O4 | Boiling Point | 645.2 °C at 760 mmHg |
Molecular Weight | 735.272 | Flash Point | 291.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butanedioicacid, didocosyl ester (9CI);Succinic acid, didocosyl ester (7CI,8CI);Dibehenyl succinate;Didocosyl succinate;NSC 166458; |
The Butanedioic acid,1,4-didocosyl ester, with the CAS registry number 13475-47-3, is also known as Succinic acid didocosyl ester. Its EINECS registry number is 236-754-4. This chemical's molecular formula is C48H94O4 and molecular weight is 735.2576. What's more, both its IUPAC name and systematic name are the same which is called Didocosyl butanedioate.
Physical properties about Butanedioic acid,1,4-didocosyl ester are: (1)ACD/LogP: 22.52; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 22.51; (4)ACD/LogD (pH 7.4): 22.51; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 47; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 227.97 cm3; (15)Molar Volume: 827.8 cm3; (16)Polarizability: 90.37×10-24 cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.888 g/cm3; (19)Flash Point: 291.4 °C; (20)Enthalpy of Vaporization: 95.18 kJ/mol; (21)Boiling Point: 645.2 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C48H94O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-51-47(49)43-44-48(50)52-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3
(3) InChIKey: IKGRKXISYLAKAJ-UHFFFAOYAL