Chemical Properties of 5-Methyl-4-mercaptohexyl-2-acetate, # 1

5-Methyl-4-mercaptohexyl-2-acetate, # 1

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InChI
InChI=1S/C9H18O2S/c1-6(2)9(12)5-7(3)11-8(4)10/h6-7,9,12H,5H2,1-4H3
InChI Key
XCOUODRDDWCWCD-UHFFFAOYSA-N
Formula
C9H18O2S
SMILES
CC(=O)OC(C)CC(S)C(C)C
Molecular Weight1
190.30
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Physical Properties

Property Value Unit Source
Δf -186.95 kJ/mol Joback Calculated Property
Δfgas -451.25 kJ/mol Joback Calculated Property
Δfus 15.33 kJ/mol Joback Calculated Property
Δvap 50.36 kJ/mol Joback Calculated Property
log10WS -2.51 Crippen Calculated Property
logPoct/wat 2.283 Crippen Calculated Property
McVol 161.460 ml/mol McGowan Calculated Property
Pc 2635.25 kPa Joback Calculated Property
Inp [1224.00; 1224.00]   Show Hide
Inp 1224.00 NIST
Inp 1224.00 NIST
Tboil 543.15 K Joback Calculated Property
Tc 747.37 K Joback Calculated Property
Tfus 254.81 K Joback Calculated Property
Vc 0.600 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [376.02; 454.27] J/mol×K [543.15; 747.37] Show Hide
Cp,gas 376.02 J/mol×K 543.15 Joback Calculated Property
Cp,gas 390.80 J/mol×K 577.19 Joback Calculated Property
Cp,gas 404.88 J/mol×K 611.22 Joback Calculated Property
Cp,gas 418.25 J/mol×K 645.26 Joback Calculated Property
Cp,gas 430.94 J/mol×K 679.30 Joback Calculated Property
Cp,gas 442.94 J/mol×K 713.34 Joback Calculated Property
Cp,gas 454.27 J/mol×K 747.37 Joback Calculated Property

Similar Compounds

5-Methyl-4-mercaptohexyl-2-acetate. 5-Methyl-4-mercaptohexyl-2-acetate, # 2. 4-Mercaptononyl-2-acetate. 4-Mercaptononyl-2-acetate, # 1. 4-Mercaptononyl-2-acetate, # 2. 4-Mercapto-3-methylpentyl-2-acetate. 4-Mercapto-3-methylpentyl-2-acetate, # 1. 4-Mercapto-3-methylpentyl-2-acetate, # 2. 4-mercaptopentyl-2-acetate. 4-Mercaptopentyl-2-acetate, # 2. 4-Mercaptopentyl-2-acetate, # 1. 2-Mercaptohexyl-4-acetate, # 2. 2-Mercaptohexyl-4-acetate, # 1. 2-Mercaptohexyl-4-acetate. 5-Methyl-4-mercaptohexan-2-ol.

Find more compounds similar to 5-Methyl-4-mercaptohexyl-2-acetate, # 1.

Sources

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