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18362-97-5
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Basic Information
CAS No.: 18362-97-5
Name: ISO-PROPYL-VALERATE
Article Data: 14
Molecular Structure:
Molecular Structure of 18362-97-5 (ISO-PROPYL-VALERATE)
Formula: C8H16O2
Molecular Weight: 144.214
Synonyms: Valericacid, isopropyl ester (8CI);Isopropyl pentanoate;Isopropyl valerate;
EINECS: 242-235-3
Density: 0.876 g/cm3
Melting Point: -63.35°C (estimate)
Boiling Point: 156.3 °C at 760 mmHg
Flash Point: 46.7 °C
PSA: 26.30000
LogP: 2.12820
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Specification

This chemical is called Pentanoic acid, 1-methylethyl ester, and it can also be named as Isopropyl valerate. With the molecular formula of C8H16O2, its molecular weight is 144.21. The CAS registry number of this chemical is 18362-97-5.

Other characteristics of the Pentanoic acid, 1-methylethyl ester can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 60.79; (6)ACD/BCF (pH 7.4): 60.79; (7)ACD/KOC (pH 5.5): 658.39; (8)ACD/KOC (pH 7.4): 658.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 40.84 cm3; (15)Molar Volume: 164.4 cm3; (16)Polarizability: 16.19×10-24cm3; (17)Surface Tension: 26.3 dyne/cm; (18)Density: 0.876 g/cm3; (19)Flash Point: 46.7 °C; (20)Enthalpy of Vaporization: 39.3 kJ/mol; (21)Boiling Point: 156.3 °C at 760 mmHg; (22)Vapour Pressure: 2.91 mmHg at 25°C.

Production method of this chemical: The Pentanoic acid, 1-methylethyl ester could be obtained by the reactant of HCl.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC(C)C)CCCC
2.InChI: InChI=1/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H
3.InChIKey: OCAIYHCKLADPEG-UHFFFAOYAL