Pentanoic acid, 1-methylethyl ester supplier

Name
ISO-PROPYL-VALERATE
EINECS 242-235-3
CAS No. 18362-97-5
Article Data14
CAS DataBase
Density 0.876 g/cm³
Solubility
Melting Point -63.35°C (estimate)
Formula C₈H₁₆O₂
Boiling Point 156.3 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 46.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, isopropyl ester (8CI);Isopropyl pentanoate;Isopropyl valerate;
PSA 26.30000
LogP 2.12820

Pentanoic acid, 1-methylethyl ester 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

Product Name

ISO-PROPYL-VALERATE

Pentanoic acid, 1-methylethyl ester Specification

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