Basic Information | Post buying leads | Suppliers |
Name |
Octadecanoic acid,16-methyl-, methyl ester |
EINECS | N/A |
CAS No. | 2490-16-6 | Density | 0.862 g/cm3 |
PSA | 26.30000 | LogP | 6.66690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H40O2 | Boiling Point | 354.6 °C at 760 mmHg |
Molecular Weight | 312.53 | Flash Point | 170.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl16-methyloctadecanoate; |
The Octadecanoic acid,16-methyl-, methyl ester is an organic compound with the formula C20H40O2. The systematic name of this chemical is methyl 16-methyloctadecanoate. With the CAS registry number 2490-16-6, it is also named as 16-Methylstearic acid methyl ester.
Physical properties about Octadecanoic acid,16-methyl-, methyl ester are: (1)ACD/LogP: 9.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.03; (4)ACD/LogD (pH 7.4): 9.03; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1937033; (8)ACD/KOC (pH 7.4): 1937033; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 96.43 cm3; (14)Molar Volume: 362.5 cm3; (15)Polarizability: 38.23×10-24cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.862 g/cm3; (18)Flash Point: 170.9 °C; (19)Enthalpy of Vaporization: 59.97 kJ/mol; (20)Boiling Point: 354.6 °C at 760 mmHg; (21)Vapour Pressure: 3.31E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCC(C)CC
(2)InChI: InChI=1/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
(3)InChIKey: IAAPBHVWQFGAED-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
(5)Std. InChIKey: IAAPBHVWQFGAED-UHFFFAOYSA-N