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7417-48-3

Basic Information
CAS No.: 7417-48-3
Name: 3-methylpenta-1,2-diene
Article Data: 13
Molecular Structure:
Molecular Structure of 7417-48-3 (3-methylpenta-1,2-diene)
Formula: C6H10
Molecular Weight: 82.1454
Synonyms: 1-Ethyl-1-methylallene;3-Methyl-1,2-pentadiene;1,2-Pentadiene,3-methyl;
EINECS: 231-033-0
Density: 0.678 g/cm3
Melting Point: -94.9°C (estimate)
Boiling Point: 70 °C at 760 mmHg
PSA: 0.00000
LogP: 2.12760
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    7417-48-3

    3-methylpenta-1,2-diene

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  • 1,2-Pentadiene,3-methyl-

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    1,2-Pentadiene,3-methyl-

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  • 3-METHYLPENTA-1,2-DIENE

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    3-METHYLPENTA-1,2-DIENE

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    3-METHYLPENTA-1,2-DIENEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    1,2-Pentadiene,3-methyl-

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Specification

The 1,2-Pentadiene,3-methyl-, with the CAS registry number 7417-48-3, is also known as 1,2-Pentadiene,3-methyl. Its EINECS number is 231-033-0. This chemical's molecular formula is C6H10 and molecular weight is 82.14. What's more, its systematic name is 3-methylpenta-1,2-diene. 

Physical properties of 1,2-Pentadiene,3-methyl- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 123.9; (6)ACD/BCF (pH 7.4): 123.9; (7)ACD/KOC (pH 5.5): 1096.04; (8)ACD/KOC (pH 7.4): 1096.04; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.4; (11)Molar Refractivity: 29.39 cm3; (12)Molar Volume: 121.1 cm3; (13)Polarizability: 11.65×10-24cm3; (14)Surface Tension: 9.8 dyne/cm; (15)Density: 0.678 g/cm3; (16)Enthalpy of Vaporization: 29.87 kJ/mol; (17)Boiling Point: 70 °C at 760 mmHg; (18)Vapour Pressure: 143 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C)=C(\C)CC
(2)InChI: InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3
(3)InChIKey: INFFCVIZNSUFGK-UHFFFAOYSA-N