Chemical Properties of 5-Methyl-4-mercaptohexan-2-one

5-Methyl-4-mercaptohexan-2-one

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InChI
InChI=1S/C7H14OS/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3
InChI Key
UQBDDFZDCXIBHM-UHFFFAOYSA-N
Formula
C7H14OS
SMILES
CC(=O)CC(S)C(C)C
Molecular Weight1
146.25

Physical Properties

Property Value Unit Source
Δf -96.35 kJ/mol Joback Calculated Property
Δfgas -272.47 kJ/mol Joback Calculated Property
Δfus 12.48 kJ/mol Joback Calculated Property
Δvap 43.88 kJ/mol Joback Calculated Property
log10WS -1.98 Crippen Calculated Property
logPoct/wat 1.920 Crippen Calculated Property
McVol 127.410 ml/mol McGowan Calculated Property
Pc 3276.53 kPa Joback Calculated Property
Inp [1069.00; 1107.00]   Show Hide
Inp 1069.00 NIST
Inp 1107.00 NIST
Inp 1069.00 NIST
Inp 1069.00 NIST
I [1585.00; 1585.00]   Show Hide
I 1585.00 NIST
I 1585.00 NIST
Tboil 475.41 K Joback Calculated Property
Tc 682.94 K Joback Calculated Property
Tfus 225.04 K Joback Calculated Property
Vc 0.475 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [262.97; 330.12] J/mol×K [475.41; 682.94] Show Hide
Cp,gas 262.97 J/mol×K 475.41 Joback Calculated Property
Cp,gas 275.68 J/mol×K 510.00 Joback Calculated Property
Cp,gas 287.76 J/mol×K 544.59 Joback Calculated Property
Cp,gas 299.23 J/mol×K 579.18 Joback Calculated Property
Cp,gas 310.10 J/mol×K 613.77 Joback Calculated Property
Cp,gas 320.39 J/mol×K 648.35 Joback Calculated Property
Cp,gas 330.12 J/mol×K 682.94 Joback Calculated Property

Similar Compounds

5-Methyl-4-mercapto-2-hexanone. 4-mercaptononan-2-one. 3-Mercapto-2-methylpentanal. 3-Mercapto-2-methylpentanal, # 1. 3-Mercapto-2-methylpentanal, # 2. 4-Mercapto-3-methyl-2-pentanone, # 2. 4-Mercapto-3-methylpentan-2-one. 4-Mercapto-3-methyl-2-pentanone, # 1. cis-2-Methylcyclohexane-1-thiol. Cyclohexanethiol, 2-methyl-, cis-. 3-Sulfanylhexanal. cis-3-Methylcyclohexane-1-thiol. trans-3-Methylcyclohexane-1-thiol. 3-Pentanethiol, 2-methyl-. 5-Methyl-4-mercaptohexan-2-ol, # 1.

Find more compounds similar to 5-Methyl-4-mercaptohexan-2-one.

Sources

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