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| CAS No.: | 83846-55-3 |
|---|---|
| Name: | 1,5-Dimethyl-1-vinylhex-4-enyl pivalate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C15H26O2 |
| Molecular Weight: | 238.37 |
| Synonyms: | 2,2-Dimethylpropionic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester;3,7-Dimethyl-1,6-octadiene-3-ol pivalate;Pivalic acid linalyl ester; |
| EINECS: | 281-031-9 |
| Density: | 0.888 g/cm3 |
| Boiling Point: | 275.2 °C at 760 mmHg |
| Flash Point: | 72.9 °C |
| PSA: | 26.30000 |
| LogP: | 4.26680 |
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- Total:4 Page 1 of 1 1
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Specification
The CAS register number of 1,5-Dimethyl-1-vinylhex-4-enyl pivalate is 83846-55-3. It also can be called as Pivalic acid linalyl ester and the IUPAC name about this chemical is 3,7-dimethylocta-1,6-dien-3-yl 2,2-dimethylpropanoate. The molecular formula about this chemical is C15H26O2 and the molecular weight is 238.37.
Physical properties about 1,5-Dimethyl-1-vinylhex-4-enyl pivalate are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.06; (4)ACD/LogD (pH 7.4): 5.06; (5)ACD/BCF (pH 5.5): 4139.46; (6)ACD/BCF (pH 7.4): 4139.46; (7)ACD/KOC (pH 5.5): 13508.34; (8)ACD/KOC (pH 7.4): 13508.34; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 72.87 cm3; (14)Molar Volume: 268.2 cm3; (15)Polarizability: 28.88x10-24cm3; (16)Surface Tension: 27.8 dyne/cm; (17)Density: 0.888 g/cm3; (18)Flash Point: 72.9 °C; (19)Enthalpy of Vaporization: 51.36 kJ/mol; (20)Boiling Point: 275.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00518 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(\C=C)(CC/C=C(/C)C)C)C(C)(C)C
(2)InChI: InChI=1/C15H26O2/c1-8-15(7,11-9-10-12(2)3)17-13(16)14(4,5)6/h8,10H,1,9,11H2,2-7H3
(3)InChIKey: ZZYCDPNQWULUFL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H26O2/c1-8-15(7,11-9-10-12(2)3)17-13(16)14(4,5)6/h8,10H,1,9,11H2,2-7H3
(5)Std. InChIKey: ZZYCDPNQWULUFL-UHFFFAOYSA-N