Chemical Properties of allicin

allicin

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InChI
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChI Key
JDLKFOPOAOFWQN-UHFFFAOYSA-N
Formula
C6H10OS2
SMILES
C=CCSS(=O)CC=C
Molecular Weight1
162.28
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Physical Properties

Property Value Unit Source
Δf -9.27 kJ/mol Joback Calculated Property
Δfgas -80.18 kJ/mol Joback Calculated Property
Δfus 20.62 kJ/mol Joback Calculated Property
Δvap 47.15 kJ/mol Joback Calculated Property
log10WS [-0.83; -0.83]   Show Hide
log10WS -0.83 Aq. Sol...
log10WS -0.83 Estimat...
logPoct/wat 1.755 Crippen Calculated Property
McVol 125.370 ml/mol McGowan Calculated Property
Pc 3872.29 kPa Joback Calculated Property
Tboil 457.10 K Joback Calculated Property
Tc 663.91 K Joback Calculated Property
Tfus 224.74 K Joback Calculated Property
Vc 0.477 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [234.06; 291.34] J/mol×K [457.10; 663.91] Show Hide
Cp,gas 234.06 J/mol×K 457.10 Joback Calculated Property
Cp,gas 244.91 J/mol×K 491.57 Joback Calculated Property
Cp,gas 255.24 J/mol×K 526.04 Joback Calculated Property
Cp,gas 265.03 J/mol×K 560.50 Joback Calculated Property
Cp,gas 274.31 J/mol×K 594.97 Joback Calculated Property
Cp,gas 283.08 J/mol×K 629.44 Joback Calculated Property
Cp,gas 291.34 J/mol×K 663.91 Joback Calculated Property

Similar Compounds

Diallyl disulphide. 4,5-dithia-1-heptene. Disulfide, methyl 2-propenyl. propyl allyl disulfide. 2-Propenyl propyl disulfide. 1-Allyl-2-isopropyldisulfane. 6,6-dimethyl-4,5-dithia-1-heptene. Allyl 1-(methylthio)ethyl disulphide. allyl 1-propenyl disulfide. Disulfide, 1-propenyl, 2-propenyl, #1. (E)-1-Allyl-2-(prop-1-en-1-yl)disulfane. allyl cis-1-propenyl disulfide. Disulfide, 1-propenyl, 2-propenyl, #2. 6-methyl-4,5-dithia-1-octene. 8-methyl-4,5-dithia-1-nonene.

Find more compounds similar to allicin.

Sources

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