The Propanol, (2-ethoxymethylethoxy)-, with the CAS registry number 30025-38-8, has the systematic name of 1-propanol, 1-(3-ethoxypropoxy)-. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. And the molecular formula of the chemical is C8H18O3.
The characteristics of Propanol, (2-ethoxymethylethoxy)- are as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.002; (4)ACD/LogD (pH 7.4): 1.002; (5)ACD/BCF (pH 5.5): 3.402; (6)ACD/BCF (pH 7.4): 3.402; (7)ACD/KOC (pH 5.5): 83.599; (8)ACD/KOC (pH 7.4): 83.599; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 44.096 cm3; (15)Molar Volume: 171.197 cm3; (16)Polarizability: 17.481 10-24cm3; (17)Surface Tension: 30.976 dyne/cm; (18)Density: 0.948 g/cm3; (19)Flash Point: 61.815 °C; (20)Enthalpy of Vaporization: 48.298 kJ/mol; (21)Boiling Point: 178.6 °C at 760 mmHg; (22)Vapour Pressure: 0.294 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCC(O)OCCCOCC
(2)InChI: InChI=1/C8H18O3/c1-3-8(9)11-7-5-6-10-4-2/h8-9H,3-7H2,1-2H3
(3)InChIKey: GEZOSPWWMQDYMS-UHFFFAOYAM
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