Dodecanedioic acid,1,12-dihexadecyl ester supplier

Name
dihexadecyl dodecanedioate
EINECS 255-733-0
CAS No. 42234-04-8
Density 0.891 g/cm³
Solubility
Melting Point
Formula C₄₄H₈₆O₄
Boiling Point 611.9 °C at 760 mmHg
Molecular Weight 679.1512
Flash Point 276.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dodecanedioicacid, dihexadecyl ester (9CI);
PSA 52.60000
LogP 14.93640

Dodecanedioic acid,1,12-dihexadecyl ester Specification

The Dodecanedioic acid,1,12-dihexadecyl ester, with the CAS registry number 42234-04-8, is also known as Dicetyl dodecanedioate. Its EINECS registry number is 255-733-0. This chemical's molecular formula is C₄₄H₈₆O₄ and molecular weight is 679.15124. What's more, both its IUPAC name and systematic name are the same which is called Dihexadecyl dodecanedioate.

Physical properties about Dodecanedioic acid,1,12-dihexadecyl ester are: (1)ACD/LogP: 19.79; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 19.79; (4)ACD/LogD (pH 7.4): 19.79; (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: 43; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 209.44 cm³; (15)Molar Volume: 761.7 cm³; (16)Surface Tension: 33.4 dyne/cm; (17)Density: 0.891 g/cm³; (18)Flash Point: 276.1 °C; (19)Enthalpy of Vaporization: 90.85 kJ/mol; (20)Boiling Point: 611.9 °C at 760 mmHg; (21)Vapour Pressure: 6.5E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCCCCC)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C44H86O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-33-37-41-47-43(45)39-35-31-27-23-24-28-32-36-40-44(46)48-42-38-34-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
(3) InChIKey: RCNQFTSPHJETIT-UHFFFAOYAY

Product Name

dihexadecyl dodecanedioate

Dodecanedioic acid,1,12-dihexadecyl ester Specification

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