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| CAS No.: | 7138-40-1 |
|---|---|
| Name: | Heptacosanoic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C27H54O2 |
| Molecular Weight: | 410.725 |
| Synonyms: | HEPTACOSANOIC ACID;CARBOXYLIC ACID C27;N-HEPTACOSANOIC ACID;HEPTACOSANOIC ACID 97+%;carboceric acid;heptacosanic acid;Heptacosanoic aci;C27:0 |
| EINECS: | 230-436-9 |
| Density: | 0.876g/cm3 |
| Melting Point: | 86-88 °C |
| Boiling Point: | 424.7 °C at 760 mmHg |
| Flash Point: | 190.1 °C |
| Safety: | 22-24/25 |
| PSA: | 37.30000 |
| LogP: | 9.84340 |
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- Total:20 Page 1 of 1 1
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Specification
The Heptacosanoic acid, with CAS registry number 7138-40-1, belongs to the following product categories: (1)Alkylcarboxylic Acids; (2)Monofunctional & alpha,omega-Bifunctional Alkanes; (3)Monofunctional Alkanes; (4)Fatty Acids; (5)Saturated fatty acids and derivatives; (6)Straight chain fatty acids. It has the systematic name of heptacosanoic acid. This chemical should be stored at the temperature of 2-8°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties of Heptacosanoic acid: (1)ACD/LogP: 13.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.2; (4)ACD/LogD (pH 7.4): 10.41; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 719845.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 128.7 cm3; (15)Molar Volume: 468.8 cm3; (16)Polarizability: 51.02×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.876 g/cm3; (19)Flash Point: 190.1 °C; (20)Enthalpy of Vaporization: 71.61 kJ/mol; (21)Boiling Point: 424.7 °C at 760 mmHg; (22)Vapour Pressure: 5.69E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)
(3)InChIKey: VXZBFBRLRNDJCS-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)
(5)Std. InChIKey: VXZBFBRLRNDJCS-UHFFFAOYSA-N