Nonanoic acid, 2,2-dimethyl- supplier

Name
2,2-DIMETHYLNONANOIC ACID
EINECS
CAS No. 14250-75-0
Article Data13
CAS DataBase
Density 0.909 g/cm³
Solubility
Melting Point 130-132 °C
Formula C₁₁H₂₂O₂
Boiling Point 283.6 °C at 760 mmHg
Molecular Weight 186.294
Flash Point 129.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2,2-Dimethylnonanoicacid;2,2-Dimethylpelargonic acid;
PSA 37.30000
LogP 3.45770

Nonanoic acid, 2,2-dimethyl- Specification

This chemical is called Nonanoic acid, 2,2-dimethyl-, and its systematic name is 2,2-dimethylnonanoic acid. With the molecular formula of C₁₁H₂₂O₂, its molecular weight is 186.29. The CAS registry number of this chemical is 14250-75-0.

Other characteristics of the Nonanoic acid, 2,2-dimethyl- can be summarised as followings: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 151.01; (6)ACD/BCF (pH 7.4): 2.47; (7)ACD/KOC (pH 5.5): 782.93; (8)ACD/KOC (pH 7.4): 12.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 54.54 cm³; (15)Molar Volume: 204.7 cm³; (16)Polarizability: 21.62×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.909 g/cm³; (19)Flash Point: 129.6 °C; (20)Enthalpy of Vaporization: 57.5 kJ/mol; (21)Boiling Point: 283.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000815 mmHg at 25°C.

Production method of this chemical: The Nonanoic acid, 2,2-dimethyl- could be obtained by the reactants of dec-1-ene and carbon monoxide.This reaction needs the reagent of H₂SO₄. In addition, this reaction should be taken at the temperature of 15 °C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(CCCCCCC)(C)C
2.InChI: InChI=1/C11H22O2/c1-4-5-6-7-8-9-11(2,3)10(12)13/h4-9H2,1-3H3,(H,12,13)
3.InChIKey: GZWHUSJKYLPRHF-UHFFFAOYAZ

Product Name

2,2-DIMETHYLNONANOIC ACID

Nonanoic acid, 2,2-dimethyl- Specification

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