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