Dodecanedioic acid,1,12-ditridecyl ester supplier

Name
ditridecyl dodecanedioate
EINECS 248-634-9
CAS No. 27742-10-5
Article Data1
CAS DataBase
Density 0.897 g/cm³
Solubility
Melting Point
Formula C₃₈H₇₄O₄
Boiling Point 559.3 °C at 760 mmHg
Molecular Weight 595.003
Flash Point 252 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dodecanedioicacid, ditridecyl ester (8CI,9CI);1-Tridecanol, dodecanedioate (2:1) (8CI);Di(tridecyl) 1,12-dodecanedioate;
PSA 52.60000
LogP 12.59580

Dodecanedioic acid,1,12-ditridecyl ester Specification

The Dodecanedioic acid,1,12-ditridecyl ester, with the CAS registry number 27742-10-5, is also known as Dodecanedioic acid, ditridecyl ester. Its EINECS registry number is 248-634-9. This chemical's molecular formula is C₃₈H₇₄O₄ and molecular weight is 594.99176. What's more, both its IUPAC name and systematic name are the same which is called Ditridecyl dodecanedioate.

Physical properties about Dodecanedioic acid,1,12-ditridecyl ester are: (1)ACD/LogP: 16.60; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.6; (4)ACD/LogD (pH 7.4): 16.6; (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: 37; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 181.64 cm³; (15)Molar Volume: 662.7 cm³; (16)Surface Tension: 33.4 dyne/cm; (17)Density: 0.897 g/cm³; (18)Flash Point: 252 °C; (19)Enthalpy of Vaporization: 84.16 kJ/mol; (20)Boiling Point: 559.3 °C at 760 mmHg; (21)Vapour Pressure: 1.52E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCC)CCCCCCCCCCC(=O)OCCCCCCCCCCCCC
(2) InChI: InChI=1/C38H74O4/c1-3-5-7-9-11-13-15-19-23-27-31-35-41-37(39)33-29-25-21-17-18-22-26-30-34-38(40)42-36-32-28-24-20-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
(3) InChIKey: XEEGJDISKZUVQO-UHFFFAOYAS

Product Name

ditridecyl dodecanedioate

Dodecanedioic acid,1,12-ditridecyl ester Specification

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