Basic information
- Name:
Hexadiene
- Superlist Name:
- 1,5-Hexadiene
- CAS No.:
42296-74-2
- Molecular Structure:
- Formula:
- C6H10
- Molecular Weight:
- 82.08
- Synonyms:
- Hexa-1,5-diene;
- EINECS:
- 209-754-7
- Density:
- 0.698 g/cm3
- Melting Point:
- -141 °C(lit.)
- Boiling Point:
- 58 °C at 760 mmHg
- Appearance:
- clear colorless liquid
- Hazard Symbols:
F,
Xn- Risk Codes:
- 11-36/37/38-65
- Safety Description:
- 16-62 Details
- Transport Information:
- UN 2458 3/PG 2
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Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
The Hexadiene, with the CAS registry number 42296-74-2 and EINECS registry number 209-754-7, has the systematic name of hexa-1,5-diene. And the molecular formula of this chemical is C6H10. It is a kind of a clear colorless liquid with a petroleum-like odor, and insoluble in water.
The physical properties of Hexadiene are as following: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 78.93; (6)ACD/BCF (pH 7.4): 78.93; (7)ACD/KOC (pH 5.5): 793.72; (8)ACD/KOC (pH 7.4): 793.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 29.29 cm3; (15)Molar Volume: 117.7 cm3; (16)Polarizability: 11.61×10-24cm3; (17)Surface Tension: 19.9 dyne/cm; (18)Density: 0.697 g/cm3; (19)Enthalpy of Vaporization: 28.82 kJ/mol; (20)Boiling Point: 58 °C at 760 mmHg; (21)Vapour Pressure: 226 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical which irritates eyes, respiratory system and skin. What's more, it may may cause lung damage if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C\CC\C=C
(2)InChI: InChI=1/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
(3)InChIKey: PYGSKMBEVAICCR-UHFFFAOYAB