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| CAS No.: | 2528-39-4 |
|---|---|
| Name: | TRIHEXYL PHOSPHATE |
| Molecular Structure: | |
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| Formula: | C18H39O4P |
| Molecular Weight: | 350.479 |
| Synonyms: | Hexylphosphate ((C6H13O)3PO) (6CI,7CI);Tri(n-hexyl) phosphate;Tri-N-hexylphosphate;Trihexyl phosphate; |
| EINECS: | 219-774-8 |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 354.1 °C at 760 mmHg |
| Flash Point: | 181.6 °C |
| Solubility: | 250μg/L at 20℃ |
| PSA: | 54.57000 |
| LogP: | 6.88520 |
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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