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39178-64-8

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Basic Information
CAS No.: 39178-64-8
Name: trans-1-Iodo-1-octen-3-one
Article Data: 4
Molecular Structure:
Molecular Structure of 39178-64-8 (trans-1-Iodo-1-octen-3-one)
Formula: C8H13 I O
Molecular Weight: 252.095
Synonyms: 1-Octen-3-one,1-iodo-, (E)-; (E)-1-Iodo-1-octen-3-one; trans-1-Iodo-1-octen-3-one
Density: 1.481
Melting Point: 37.7-38.4oC
Boiling Point: 256oC
Flash Point: 108 ºC
PSA: 17.07000
LogP: 3.08450
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Chemistry

Molecular Structure of (E)-1-Iodo-1-octen-3-one (CAS NO.39178-64-8):

Systematic Name: (1E)-1-Iodooct-1-en-3-one
SMILES: I[C@H]=CC(=O)CCCCC
InChI: InChI=1/C8H13IO/c1-2-3-4-5-8(10)6-7-9/h6-7H,2-5H2,1H3/b7-6+
InChIKey: LRJFQILVAYLBBP-VOTSOKGWBM 
Empirical Formula: C8H13IO
Molecular Weight: 252.0927
Nominal Mass: 252
Average Mass: 252.0927
Monoisotopic Mass: 252.0011 
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 5
Index of Refraction: 1.525
Molar Refractivity: 52.169 cm3
Molar Volume: 170.15 cm3
Surface Tension: 35.969 dyne/cm
Density: 1.482 g/cm3
Flash Point: 108.485 °C
Enthalpy of Vaporization: 49.325 kJ/mol
Boiling Point: 255.768 °C at 760 mmHg
Vapour Pressure: 0.016 mmHg at 25 °C
Melting Point: 37.7-38.4 °C
Mol File: 39178-64-8.mol

Specification

 (E)-1-Iodo-1-octen-3-one (CAS NO.39178-64-8), its Synonyms are trans-1-Iodo-1-octen-3-one ; 1-Octen-3-one,1-iodo-, (E)- ; 1-Octen-3-one, 1-iodo-,(1E)- .