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CAS No.: | 17312-63-9 |
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Name: | 5-BUTYLNONANE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H28 |
Molecular Weight: | 184.365 |
Synonyms: | 5-Butylnonane;5-n-Butylnonane;NSC 174945; |
Density: | 0.757 g/cm3 |
Melting Point: | -28.13°C (estimate) |
Boiling Point: | 216.6 °C at 760 mmHg |
Flash Point: | 64.9 °C |
PSA: | 0.00000 |
LogP: | 5.17320 |
The Nonane, 5-butyl- is an organic compound with the formula C13H28. The IUPAC name of this chemical is 5-butylnonane. With the CAS registry number 17312-63-9, it is also named as 5-n-Butylnonane.
Physical properties about Nonane, 5-butyl- are: (1)ACD/LogP: 7.48; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 9; (4)Index of Refraction: 1.424; (5)Molar Refractivity: 62.23 cm3; (6)Molar Volume: 243.4 cm3; (7)Polarizability: 24.67×10-24cm3; (8)Surface Tension: 25.4 dyne/cm; (9)Density: 0.757 g/cm3; (10)Flash Point: 64.9 °C; (11)Enthalpy of Vaporization: 43.45 kJ/mol; (12)Boiling Point: 216.6 °C at 760 mmHg; (13)Vapour Pressure: 0.204 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC(CCCC)CCCC
(2)InChI: InChI=1/C13H28/c1-4-7-10-13(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3
(3)InChIKey: YXSQPZMAIVSYDV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H28/c1-4-7-10-13(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3
(5)Std. InChIKey: YXSQPZMAIVSYDV-UHFFFAOYSA-N