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Phosphoric acid,trihexyl ester

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Name

Phosphoric acid,trihexyl ester

EINECS 219-774-8
CAS No. 2528-39-4 Density 0.95 g/cm3
PSA 54.57000 LogP 6.88520
Solubility 250μg/L at 20℃ Melting Point N/A
Formula C18H39O4P Boiling Point 354.1 °C at 760 mmHg
Molecular Weight 350.479 Flash Point 181.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2528-39-4 (TRIHEXYL PHOSPHATE) Hazard Symbols N/A
Synonyms

Hexylphosphate ((C6H13O)3PO) (6CI,7CI);Tri(n-hexyl) phosphate;Tri-N-hexylphosphate;Trihexyl phosphate;

Article Data 10

Phosphoric acid,trihexyl ester Specification

The CAS registry number of Phosphoric acid,trihexyl ester is 2528-39-4. This chemical's molecular formula is C18H39O4P and molecular weight is 350.47. What's more, both its IUPAC name and systematic name are the same which is called Trihexyl phosphate.

Physical properties about Phosphoric acid,trihexyl ester are: (1)ACD/LogP: 7.45; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.45; (4)ACD/LogD (pH 7.4): 7.45; (5)ACD/BCF (pH 5.5): 271778.19; (6)ACD/BCF (pH 7.4): 271778.19; (7)ACD/KOC (pH 5.5): 270013.53; (8)ACD/KOC (pH 7.4): 270013.53; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 97.54 cm3; (15)Molar Volume: 368.8 cm3; (16)Polarizability: 38.67×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 181.6 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 354.1 °C at 760 mmHg; (22)Vapour Pressure: 6.99E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCCCCCC)(OCCCCCC)OCCCCCC
(2) InChI: InChI=1/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
(3) InChIKey: SFENPMLASUEABX-UHFFFAOYAH

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