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Nonanoic acid, 9-iodo-, methyl ester

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Name

Nonanoic acid, 9-iodo-, methyl ester

EINECS N/A
CAS No. 75452-47-0 Density 1.381 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C10H19IO2 Boiling Point 290.917 °C at 760 mmHg
Molecular Weight 298.164 Flash Point 129.742 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 75452-47-0 (Nonanoic acid, 9-iodo-, methyl ester) Hazard Symbols N/A
Synonyms

8-Iodooctyl acetate;

Article Data 8

Nonanoic acid, 9-iodo-, methyl ester Specification

The Nonanoic acid, 9-iodo-, methyl ester, with the CAS registry number 75452-47-0, is also known as Methyl 9-iodononanoate. This chemical's molecular formula is C10H19IO2 and molecular weight is 298.16. What's more, its systematic name is called 8-Iodooctyl acetate.

Physical properties about Nonanoic acid, 9-iodo-, methyl ester are: (1)ACD/LogP: 4.235; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 973.65; (6)ACD/BCF (pH 7.4): 973.65; (7)ACD/KOC (pH 5.5): 4794.01; (8)ACD/KOC (pH 7.4): 4794.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 63.122 cm3; (15)Molar Volume: 215.911 cm3; (16)Polarizability: 25.023×10-24cm3; (17)Surface Tension: 35.958 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 129.742 °C; (20)Enthalpy of Vaporization: 53.032 kJ/mol; (21)Boiling Point: 290.917 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ICCCCCCCCOC(=O)C
(2) InChI: InChI=1S/C10H19IO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h2-9H2,1H3
(3) InChIKey: YSBDAKNDDWUXSE-UHFFFAOYSA-N

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