Basic information
- Name:
Silanetriol, 1-propyl-,1,1,1-triacetate
- Superlist Name:
- Propyltriacetoxysilane
- CAS No.:
17865-07-5
- Molecular Structure:
- Formula:
- C9H16O6Si
- Molecular Weight:
- 248.30524
- Synonyms:
- Silanetriol,propyl-, triacetate (6CI,8CI,9CI);Propyltriacetoxysilane;Propylsilanetriyl triacetate;silanetriol, 1-propyl-, triacetate;Silanetriol, propyl-, triacetate;
- EINECS:
- 241-816-9
- Density:
- 1.112 g/cm3
- Boiling Point:
- 236.2 °C at 760 mmHg
- Flash Point:
- 80.4 °C
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Specification
The Silanetriol, 1-propyl-,1,1,1-triacetate, with the CAS registry number 17865-07-5 and EINECS registry number 241-816-9, has the systematic name of propylsilanetriyl triacetate. It is also called Silanetriol, propyl-, triacetate. And the molecular formula of the chemical is C9H16O6Si.
The characteristics of Silanetriol, 1-propyl-,1,1,1-triacetate are as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.56; (6)ACD/BCF (pH 7.4): 41.56; (7)ACD/KOC (pH 5.5): 501.49; (8)ACD/KOC (pH 7.4): 501.49; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 57.78 cm3; (15)Molar Volume: 223.2 cm3; (16)Polarizability: 22.9×10-24cm3; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 1.112 g/cm3; (19)Flash Point: 80.4 °C; (20)Enthalpy of Vaporization: 47.3 kJ/mol; (21)Boiling Point: 236.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0481 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O[Si](OC(=O)C)(OC(=O)C)CCC)C
(2)InChI: InChI=1/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3
(3)InChIKey: DKGZKEKMWBGTIB-UHFFFAOYAK