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2082-80-6

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Basic Information
CAS No.: 2082-80-6
Name: PHOSPHOROUS ACID TRI-N-OCTADECYL ESTER
Molecular Structure:
Molecular Structure of 2082-80-6 (PHOSPHOROUS ACID TRI-N-OCTADECYL ESTER)
Formula: C54H111O3P
Molecular Weight: 839.447
Synonyms: trioctadecyl phosphite;TRI-N-OCTADECYL PHOSPHITE;PHOSPHOROUS ACID TRI-N-OCTADECYL ESTER;Chelex S;JP 318;NSC 65487;Weston TSP;
EINECS: 218-217-6
Melting Point: 45.0 to 52.0 °C
Boiling Point: 650.4 °C at 760 mmHg
Flash Point: 437.9 °C
PSA: 41.28000
LogP: 21.04760
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Specification

The Phosphorous acid,trioctadecyl ester, its CAS registry number is 2082-80-6. The IUPAC name of it is trioctadecyl phosphite, and molecular formula is C54H111O3P. In addition, its molecular weight is 839.431101.

Physical properties about this chemical are: (1) ACD/LogP: 26.17; (2) # of Rule of 5 Violations: 2; (3) # H bond acceptors: 3; (4) #H bond donors: 0; (5) # Freely Rotating Bonds: 54; (6) Polar Surface Area: 41.28 Å2; (7) Flash Point: 437.9 °C; (8) Enthalpy of Vaporization: 92.38 kJ/mol; (9) Boiling Point: 650.4 °C at 760 mmHg; (10) Vapour Pressure: 4.42E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:O(P(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
(2) InChI:InChI=1/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
(3) InChIKey:CNUJLMSKURPSHE-UHFFFAOYAX