-
Name
2-Nonadecanol
- EINECS 247-763-8
- CAS No. 26533-36-8
- Article Data10
- CAS DataBase
- Density 0.836 g/cm3
- Solubility
- Melting Point 52°C
- Formula C19H40O
- Boiling Point 330.2 °C at 760mmHg
- Molecular Weight 284.526
- Flash Point 114.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Nonadecan-2-ol;
- PSA 20.23000
- LogP 6.62870
2-Nonadecanol Specification
The 2-Nonadecanol, with the CAS registry number 26533-36-8 and EINECS registry number 247-763-8, has the systematic name and IUPAC name of nonadecan-2-ol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C19H40O.
The characteristics of 2-Nonadecanol are as followings: (1)ACD/LogP: 8.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.66; (4)ACD/LogD (pH 7.4): 8.66; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1227037; (8)ACD/KOC (pH 7.4): 1227037; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 91.56 cm3; (15)Molar Volume: 340 cm3; (16)Polarizability: 36.29×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.836 g/cm3; (19)Flash Point: 114.9 °C; (20)Enthalpy of Vaporization: 66.37 kJ/mol; (21)Boiling Point: 330.2 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(CCCCCCCCCCCCCCCCC)C
(2)InChI: InChI=1/C19H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h19-20H,3-18H2,1-2H3
(3)InChIKey: QXYWIOWTBOREMG-UHFFFAOYAH
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