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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 | Hazard Symbols | N/A | |
Synonyms |
8-Iodooctyl acetate; |
Article Data | 8 |
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