Aceticacid, 2-(nitrooxy)-, tetradecyl ester supplier

Name
tetradecyl (nitrooxy)acetate
EINECS
CAS No. 5426-76-6
Density 1.006 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₁NO₅
Boiling Point 392.4 °C at 760 mmHg
Molecular Weight 317.42
Flash Point 129 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycolicacid, tetradecyl ester, nitrate (ester) (8CI);NSC 14325;Tetradecyl(nitrooxy)acetate;NSC14325;AC1L5DUT;Tetradecyl 2-nitrooxyacetate;AC1Q5B51;AR-1L6316;CID225188;
PSA
LogP

Aceticacid, 2-(nitrooxy)-, tetradecyl ester Specification

The Aceticacid, 2-(nitrooxy)-, tetradecyl ester with CAS registry number of 5426-76-6 is also known as Tetradecyl(nitrooxy)acetate. The IUPAC name is Tetradecyl 2-nitrooxyacetate. In addition, the formula is C₁₆H₃₁NO₅ and the molecular weight is 317.42.

Physical properties about Aceticacid, 2-(nitrooxy)-, tetradecyl ester are: (1)ACD/LogP: 7.67; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 17; (6)Polar Surface Area: 81.35Å²; (7)Index of Refraction: 1.456; (8)Molar Refractivity: 85.71 cm³; (9)Molar Volume: 315.2 cm³; (10)Polarizability: 33.98×10^-24cm³; (11)Surface Tension: 35.8 dyne/cm; (12)Density: 1.006 g/cm³; (13)Flash Point: 129 °C; (14)Enthalpy of Vaporization: 64.22 kJ/mol; (15)Boiling Point: 392.4 °C at 760 mmHg; (16)Vapour Pressure: 2.29E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=[N+]([O-])OCC(=O)OCCCCCCCCCCCCCC
2. InChI: InChI=1/C16H31NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(18)15-22-17(19)20/h2-15H2,1H3
3. InChIKey: KQCHGTULTJPHBU-UHFFFAOYAL
4. Std. InChI: InChI=1S/C16H31NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(18)15-22-17(19)20/h2-15H2,1H3
5. Std. InChIKey: KQCHGTULTJPHBU-UHFFFAOYSA-N

Product Name

tetradecyl (nitrooxy)acetate

Aceticacid, 2-(nitrooxy)-, tetradecyl ester Specification

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