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| CAS No.: | 5963-14-4 |
|---|---|
| Name: | 8-METHYLNONANOIC ACID |
| Molecular Structure: | |
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| Formula: | C10H20O2 |
| Molecular Weight: | 172.268 |
| Synonyms: | 8-Methylnonanoicacid;Isocapric acid; |
| Density: | 0.913 g/cm3 |
| Melting Point: | 15-19 °C |
| Boiling Point: | 271.6 °C at 760 mmHg |
| Flash Point: | 142.3 °C |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 37.30000 |
| LogP: | 3.06760 |
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- Total:31 Page 1 of 1 1
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Specification
This chemical is called Nonanoic acid, 8-methyl-, and it can also be named as 8-methylnonanoic acid. With the CAS registry number of 5963-14-4, its product categories are Branched Fatty Acids; Methyl Branched; Saturated Fatty Acids and Derivatives. Additionally, this chemical is clear colorless to yellow liquid. It should be stored at the temperature of -20°C.
Other characteristics of the Nonanoic acid, 8-methyl- can be summarised as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 70.53; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 435.09; (8)ACD/KOC (pH 7.4): 6.98; (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)Polarizability: 19.78×10-24cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 0.913 g/cm3; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 56.12 kJ/mol; (21)Boiling Point: 271.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00178 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCCCCCC(C)C
2.InChI: InChI=1/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
3.InChIKey: OAOABCKPVCUNKO-UHFFFAOYAT