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28473-19-0

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Basic Information
CAS No.: 28473-19-0
Name: diisodecyl sebacate
Molecular Structure:
Molecular Structure of 28473-19-0 (diisodecyl sebacate)
Formula: C30H58O4
Molecular Weight: 482.77912
Synonyms: Decanedioicacid, diisodecyl ester (9CI);Sebacic acid, diisodecyl ester (6CI);Diisodecylsebacate;bis(8-methylnonyl) decanedioate;diisodecyl sebacate;
EINECS: 249-047-0
Density: 0.908 g/cm3
Boiling Point: 470.3 °C at 760 mmHg
Flash Point: 209.1 °C
Solubility: 95μg/L at 20℃
PSA: 52.60000
LogP: 9.18680
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Specification

The Decanedioic acid,1,10-diisodecyl ester, with the CAS registry number 28473-19-0 and EINECS registry number 249-047-0, has the sydtematic name of bis(8-methylnonyl) decanedioate. And the molecular formula of the chemical is C30H58O4.

The characteristics of Decanedioic acid,1,10-diisodecyl ester are as followings: (1)ACD/LogP: 11.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.98; (4)ACD/LogD (pH 7.4): 11.98; (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: 27; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 144.5 cm3; (15)Molar Volume: 531.4 cm3; (16)Polarizability: 57.28×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.908 g/cm3; (19)Flash Point: 209.1 °C; (20)Enthalpy of Vaporization: 73.28 kJ/mol; (21)Boiling Point: 470.3 °C at 760 mmHg; (22)Vapour Pressure: 5.14E-09 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCCCCCCC(C)C)CCCCCCCCC(=O)OCCCCCCCC(C)C
(2)InChI: InChI=1/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3
(3)InChIKey: OAXZVLMNNOOMGN-UHFFFAOYAC