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Butanedioic acid,1,4-ditridecyl ester

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Name

Butanedioic acid,1,4-ditridecyl ester

EINECS 234-210-0
CAS No. 10595-83-2 Density 0.909 g/cm3
PSA 52.60000 LogP 9.47500
Solubility N/A Melting Point N/A
Formula C30H58O4 Boiling Point 483.2 °C at 760 mmHg
Molecular Weight 482.788 Flash Point 217.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 10595-83-2 (ditridecyl succinate) Hazard Symbols N/A
Synonyms

Butanedioicacid, ditridecyl ester (9CI);Succinic acid, ditridecyl ester (8CI);1-Tridecanol, succinate (2:1);

 

Butanedioic acid,1,4-ditridecyl ester Specification

The Butanedioic acid,1,4-ditridecyl ester, with the CAS registry number 10595-83-2, is also known as Ditridecyl succinate and Succinic acid ditridecyl ester. Its EINECS registry number is 234-210-0. This chemical's molecular formula is C30H58O4 and molecular weight is 482.77912. What's more, its systematic name is Ditridecyl butanedioate.

Physical properties about Butanedioic acid,1,4-ditridecyl ester are: (1)ACD/LogP: 12.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.95; (4)ACD/LogD (pH 7.4): 12.95; (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: 29; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 144.58 cm3; (15)Molar Volume: 530.7 cm3; (16)Polarizability: 57.31×10-24 cm3; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.909 g/cm3; (19)Flash Point: 217.2 °C; (20)Enthalpy of Vaporization: 74.83 kJ/mol; (21)Boiling Point: 483.2 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCC
(2) InChI: InChI=1/C30H58O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
(3) InChIKey: UTLUBBFIVPRZFF-UHFFFAOYAG

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