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| CAS No.: | 94138-80-4 |
|---|---|
| Name: | hexacosyl acrylate |
| Molecular Structure: | |
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| Formula: | C29H56O2 |
| Molecular Weight: | 436.75374 |
| Synonyms: | Hexacosyl acrylate; |
| EINECS: | 302-994-4 |
| Density: | 0.863g/cm3 |
| Boiling Point: | 507 °C at 760 mmHg |
| Flash Point: | 201.7 °C |
| PSA: | 26.30000 |
| LogP: | 10.09790 |
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- Total:2 Page 1 of 1 1
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Specification
The Hexacosyl prop-2-enoate, with CAS registry number 94138-80-4, has the systematic name of hexacosyl prop-2-enoate. Besides this, it is also called Acrylic acid hexacosan-1-yl ester. And the chemical formula of this chemical is C29H56O2. What's more, its EINECS is 302-994-4.
Physical properties of Hexacosyl prop-2-enoate: (1)ACD/LogP: 14.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 14.08; (4)ACD/LogD (pH 7.4): 14.08; (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): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 137.9 cm3; (15)Molar Volume: 505.8 cm3; (16)Polarizability: 54.66×10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 0.863 g/cm3; (19)Flash Point: 201.7 °C; (20)Enthalpy of Vaporization: 77.7 kJ/mol; (21)Boiling Point: 507 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCCCCCC)\C=C
(2)InChI: InChI=1/C29H56O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29(30)4-2/h4H,2-3,5-28H2,1H3
(3)InChIKey: GMMVDHHXYPDRJR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C29H56O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29(30)4-2/h4H,2-3,5-28H2,1H3
(5)Std. InChIKey: GMMVDHHXYPDRJR-UHFFFAOYSA-N