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7319-00-8

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Basic Information
CAS No.: 7319-00-8
Name: 1,4-HEXADIENE
Article Data: 7
Molecular Structure:
Molecular Structure of 7319-00-8 (1,4-HEXADIENE)
Formula: C6H10
Molecular Weight: 82.1454
Synonyms: 1,4-Hexadiene,(E)- (8CI);(E)-1,4-Hexadiene;1,4-Trans-Hexadiene;trans-1,4-Hexadiene;
Density: 0.706 g/cm3
Melting Point: -138.7°C
Boiling Point: 64.6 °C at 760 mmHg
Flash Point: −14 °F
Hazard Symbols: FlammableF; IrritantXi
Risk Codes: 11-36/37/38
Safety: 16-26-36/37/39
Transport Information: UN 2458
PSA: 0.00000
LogP: 2.13860
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Specification

The 1,4-Hexadiene, (4E)-, with CAS registry number 7319-00-8, has the systematic name of (4E)-hexa-1,4-diene. Besides this, it is also called trans-1,4-Hexadiene. And the chemical formula of this chemical is C6H10.

Physical properties of 1,4-Hexadiene, (4E)-: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 96.74; (6)ACD/BCF (pH 7.4): 96.74; (7)ACD/KOC (pH 5.5): 918.15; (8)ACD/KOC (pH 7.4): 918.15; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 29.62 cm3; (15)Molar Volume: 116.2 cm3; (16)Polarizability: 11.74×10-24cm3; (17)Surface Tension: 20.3 dyne/cm; (18)Density: 0.706 g/cm3; (19)Enthalpy of Vaporization: 29.39 kJ/mol; (20)Boiling Point: 64.6 °C at 760 mmHg; (21)Vapour Pressure: 176 mmHg at 25°C.

Preparation: this chemical can be prepared by trimethyl(1-methylene-3-pentenyl)silane. This reaction will need reagent TFA. The reaction time is 3 hour(s) with reaction temperature of 30 ℃. The yield is about 30%.

1,4-Hexadiene, (4E)- can be prepared by trimethyl(1-methylene-3-pentenyl)silane.

When you are using this chemical, please be cautious about it as the following:
The 1,4-Hexadiene, (4E)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, this chemical is highly flammable, so keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\C/C=C/C
(2)InChI: InChI=1/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
(3)InChIKey: PRBHEGAFLDMLAL-GQCTYLIABF
(4)Std. InChI: InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
(5)Std. InChIKey: PRBHEGAFLDMLAL-GQCTYLIASA-N