CAS No.62042-45-9,1,1',1''-[propylidynetris(oxy)]tributane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62042-45-9
Name:	1,1',1''-[propylidynetris(oxy)]tributane

Formula:	C₁₅H₃₂O₃
Molecular Weight:	260.417
Synonyms:	Orthopropionicacid, tributyl ester (7CI);Tributyl orthopropionate;
EINECS:	263-389-8
Density:	0.881 g/cm³
Boiling Point:	294.3 °C at 760 mmHg
Flash Point:	110.5 °C
PSA:	27.69000
LogP:	4.50030

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Specification

The Butane,1,1',1''-[propylidynetris(oxy)]tris-, with the CAS registry number 62042-45-9, is also known as 1,1',1''-(Propylidynetris(oxy))tributane. Its EINECS registry number is 263-389-8. This chemical's molecular formula is C₁₅H₃₂O₃ and molecular weight is 260.41278. What's more, both its IUPAC name and systematic name are the same which is called 1-(1,1-Dibutoxypropoxy)butane.

Physical properties about Butane,1,1',1''-[propylidynetris(oxy)]tris- are: (1)ACD/LogP: 6.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.21; (4)ACD/LogD (pH 7.4): 6.21; (5)ACD/BCF (pH 5.5): 31115.87; (6)ACD/BCF (pH 7.4): 31115.87; (7)ACD/KOC (pH 5.5): 57234.89; (8)ACD/KOC (pH 7.4): 57234.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 76.74 cm³; (15)Molar Volume: 295.2 cm³; (16)Polarizability: 30.42×10^-24cm³; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.881 g/cm³; (19)Flash Point: 110.5 °C; (20)Enthalpy of Vaporization: 51.26 kJ/mol; (21)Boiling Point: 294.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00287 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(CCCC)C(OCCCC)(OCCCC)CC
(2) InChI: InChI=1/C15H32O3/c1-5-9-12-16-15(8-4,17-13-10-6-2)18-14-11-7-3/h5-14H2,1-4H3
(3) InChIKey: BQIKKNNMJKMBEQ-UHFFFAOYAG