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Basic Information
CAS No.: 35205-79-9
Name: 3-METHYLNONANOIC ACID
Molecular Structure:
Molecular Structure of 35205-79-9 (3-METHYLNONANOIC ACID)
Formula: C10H20O2
Molecular Weight: 172.268
Synonyms: 3-Methyl-nonanoic acid;
Density: 0.913 g/cm3
Boiling Point: 271.6 °C at 760 mmHg
Flash Point: 142.3 °C
Hazard Symbols: Xi
Risk Codes: 41
Safety: 26-39
PSA: 37.30000
LogP: 3.06760
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Specification

The Nonanoic acid,3-methyl-, with the CAS registry number of 35205-79-9, is also known as 3-Methyl-nonanoic acid. This chemical's molecular formula is C10H20O2 and molecular weight is 172.26.

Physical properties about the Nonanoic acid,3-methyl- are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 73.21; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 451.61; (8)ACD/KOC (pH 7.4): 7.28; (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: 1.441; (14)Molar Refractivity: 49.9 cm3; (15)Molar Volume: 188.6 cm3; (16)Surface Tension: 32.1 dyne/cm; (17)Density: 0.913 g/cm3; (18)Flash Point: 142.3 °C; (19)Enthalpy of Vaporization: 56.12 kJ/mol; (20)Boiling Point: 271.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00178 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(CCCCCC)C
(2) InChI: InChI=1/C10H20O2/c1-3-4-5-6-7-9(2)8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
(3) InChIKey: ZDIXEQISPGRDEB-UHFFFAOYAE