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36631-30-8

Basic Information
CAS No.: 36631-30-8
Name: 1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester
Molecular Structure:
Molecular Structure of 36631-30-8 (1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester)
Formula: C39H66O6
Molecular Weight: 630.9377
Synonyms: 1,2,4-Benzenetricarboxylicacid, triisodecyl ester (9CI);ADK Cizer C 10;Adekacizer C 10;Hatcol 2930;SansocizerTITM;Triisodecyl trimellitate;Trimex T 10;
EINECS: 253-138-0
Density: 0.97 g/cm3
Melting Point:
Boiling Point: 649 °C at 760 mmHg
Flash Point: 258.1 °C
Solubility:
Appearance:
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
Transport Information:
PSA: 78.90000
LogP: 11.14680
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Specification

The 1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester, with the CAS registry number 36631-30-8 and EINECS registry number 253-138-0, has the systematic name of tris(8-methylnonyl) benzene-1,2,4-tricarboxylate. And the molecular formula of the chemical is C39H66O6.

The characteristics of 1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester are as followings: (1)ACD/LogP: 15.99; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.98; (4)ACD/LogD (pH 7.4): 15.98; (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: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 186.53 cm3; (15)Molar Volume: 649.9 cm3; (16)Polarizability: 73.94×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 258.1 °C; (20)Enthalpy of Vaporization: 95.68 kJ/mol; (21)Boiling Point: 649 °C at 760 mmHg; (22)Vapour Pressure: 9.91E-17 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCCCCCCC(C)C)c1cc(ccc1C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C
(2)InChI: InChI=1/C39H66O6/c1-31(2)22-16-10-7-13-19-27-43-37(40)34-25-26-35(38(41)44-28-20-14-8-11-17-23-32(3)4)36(30-34)39(42)45-29-21-15-9-12-18-24-33(5)6/h25-26,30-33H,7-24,27-29H2,1-6H3
(3)InChIKey: FJFYFBRNDHRTHL-UHFFFAOYAK