Octadecanoic acid, 3-methyl- supplier

Name
Octadecanoic acid, 3-methyl-
EINECS
CAS No. 52304-07-1
Density 0.885 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₈O₂
Boiling Point 415.3 °C at 760 mmHg
Molecular Weight 298.5038
Flash Point 234.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyloctadecanoicacid;
PSA
LogP

Octadecanoic acid, 3-methyl- Specification

The Octadecanoic acid, 3-methyl- is an organic compound with the formula C₁₉H₃₈O₂. The systematic name of this chemical is 3-Methyloctadecanoic acid. With the CAS registry number 52304-07-1, it is also named as 3-Methyl-octadecanoic acid. Besides, its molecular weight is 298.5038.

Physical properties about Octadecanoic acid, 3-methyl- are: (1)ACD/LogP: 8.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.78; (4)ACD/LogD (pH 7.4): 5.99; (5)ACD/BCF (pH 5.5): 314399.13; (6)ACD/BCF (pH 7.4): 5063.57; (7)ACD/KOC (pH 5.5): 179779.92; (8)ACD/KOC (pH 7.4): 2895.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 91.59 cm³; (15)Molar Volume: 337.1 cm³; (16)Polarizability: 36.31×10^-24 cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.885 g/cm³; (19)Flash Point: 234.5 °C; (20)Enthalpy of Vaporization: 73.32 kJ/mol; (21)Boiling Point: 415.3 °C at 760 mmHg; (22)Vapour Pressure: 4.64E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
(2)InChIKey: VBVVLSXIGCWRIN-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
(4)Std. InChIKey: VBVVLSXIGCWRIN-UHFFFAOYSA-N

Product Name

Octadecanoic acid, 3-methyl-

Octadecanoic acid, 3-methyl- Specification

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