Pentanoic acid,1,1'-anhydride (2082-59-9)

The Valeric anhydride, with the CAS registry number 2082-59-9, has the systematic name of pentanoic anhydride and IUPAC name of pentanoyl pentanoate. It is a kind of clear colorless to yellow liquid. And the molecular formula of the chemical is C₁₀H₁₈O₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 66.96; (6)ACD/BCF (pH 7.4): 66.96; (7)ACD/KOC (pH 5.5): 705.55; (8)ACD/KOC (pH 7.4): 705.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 50.18 cm³; (15)Molar Volume: 194.2 cm³; (16)Polarizability: 19.89×10^-24cm³; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 0.959 g/cm³; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 46.44 kJ/mol; (21)Boiling Point: 227.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0758 mmHg at 25°C.

You should be cautious while dealing with this chemical. It causes burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, what's more, if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(=O)CCCC)CCCC
(2)InChI: InChI=1/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3
(3)InChIKey: DUCKXCGALKOSJF-UHFFFAOYAC