Hexanoic acid, 2-ethyl- supplier

Name
2-ETHYL HEXOIC ACID,AR
EINECS
CAS No. 125804-07-1
Density 0.926 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂
Boiling Point 228 °C at 760 mmHg
Molecular Weight 144.212
Flash Point 116.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Ethylhexanoic acid;
PSA 0.00000
LogP 0.00000

Hexanoic acid, 2-ethyl- Specification

The Hexanoic acid, 2-ethyl-, with the CAS registry number of 125804-07-1, is also known as 2-ethyl hexanoic acid. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.212. What's more, its systematic name is called 2-Ethylhexanoic acid.

Physical properties about Hexanoic acid, 2-ethyl- are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 123.98; (8)ACD/KOC (pH 7.4): 2.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 40.63 cm³; (15)Molar Volume: 155.5 cm³; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 0.926 g/cm³; (18)Flash Point: 116.6 °C; (19)Enthalpy of Vaporization: 51.18 kJ/mol; (20)Boiling Point: 228 °C at 760 mmHg; (21)Vapour Pressure: 0.027 mmHg at 25 °C.

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

Product Name

2-ETHYL HEXOIC ACID,AR

Hexanoic acid, 2-ethyl- Specification

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