Heptanoic acid,3-methyl- supplier

Name
3-METHYLHEPTANOIC ACID
EINECS
CAS No. 53663-30-2
Article Data31
CAS DataBase
Density 0.926 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂
Boiling Point 234.6 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 116.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methylheptanoic acid;(?à)-3-Methylheptanoic acid;
PSA 37.30000
LogP 2.28740

Heptanoic acid,3-methyl- Specification

The Heptanoic acid,3-methyl-, with the CAS registry number 53663-30-2, is also known as 3-Methyl-heptanoic acid. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.2114. Its systematic name is called 3-methylheptanoic acid.

Physical properties of Heptanoic acid,3-methyl-: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 11.4; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 119.3; (7)ACD/KOC (pH 7.4): 1.92; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 40.63 cm³; (13)Molar Volume: 155.5 cm³; (14)Surface Tension: 31.8 dyne/cm; (15)Density: 0.926 g/cm³; (16)Flash Point: 116.6 °C; (17)Enthalpy of Vaporization: 51.92 kJ/mol; (18)Boiling Point: 234.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0182 mmHg at 25°C.

Preparation: this chemical can be prepared by butyllithium and but-2t-enoic acid. This reaction will need reagent CuI, BF₃-Et₂O and solvent hexane, diethyl ether.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(CCCC)C
(2)InChI: InChI=1/C8H16O2/c1-3-4-5-7(2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
(3)InChIKey: DVESMWJFKVAFSP-UHFFFAOYAE

Product Name

3-METHYLHEPTANOIC ACID

Heptanoic acid,3-methyl- Specification

Related Products

Hot Products