CAS No.35205-79-9,3-METHYLNONANOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	35205-79-9
Name:	3-METHYLNONANOIC ACID
Article Data:	11

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