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Name |
1-Heptene, 5-methyl- |
EINECS | N/A |
CAS No. | 13151-04-7 | Density | 0.719 g/cm3 |
PSA | 0.00000 | LogP | 2.99870 |
Solubility | N/A | Melting Point |
-103.01°C (estimate) |
Formula | C8H16 | Boiling Point | 112.4 °C at 760 mmHg |
Molecular Weight | 112.215 | Flash Point | 15.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Methyl-1-heptene;NSC 249818;5-methylhept-1-ene; |
Article Data | 4 |
The 1-Heptene, 5-methyl-, with the CAS registry number 13151-04-7, is also known as 5-Methyl-1-heptene. This chemical's molecular formula is C8H16 and molecular weight is 112.21. What's more, its systematic name is 5-methylhept-1-ene.
Physical properties of 1-Heptene, 5-methyl- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1115.2; (6)ACD/BCF (pH 7.4): 1115.2; (7)ACD/KOC (pH 5.5): 5283.16; (8)ACD/KOC (pH 7.4): 5283.16; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 38.79 cm3; (15)Molar Volume: 156 cm3; (16)Polarizability: 15.37×10-24 cm3; (17)Surface Tension: 21.6 dyne/cm; (18)Density: 0.719 g/cm3; (19)Flash Point: 15.5 °C; (20)Enthalpy of Vaporization: 33.64 kJ/mol; (21)Boiling Point: 112.4 °C at 760 mmHg; (22)Vapour Pressure: 25.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=C\CCC(C)CC
(2)InChI: InChI=1/C8H16/c1-4-6-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
(3)InChIKey: WNEYWVBECXCQRT-UHFFFAOYAX