Chemical Properties of 4-Mercapto-3-methylpentan-2-one

4-Mercapto-3-methylpentan-2-one

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H12OS/c1-4(5(2)7)6(3)8/h4,6,8H,1-3H3
InChI Key
VPFDUTYZTDYOAS-UHFFFAOYSA-N
Formula
C6H12OS
SMILES
CC(=O)C(C)C(C)S
Molecular Weight1
132.22
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Physical Properties

Property Value Unit Source
Δf -104.77 kJ/mol Joback Calculated Property
Δfgas -251.83 kJ/mol Joback Calculated Property
Δfus 9.89 kJ/mol Joback Calculated Property
Δvap 41.66 kJ/mol Joback Calculated Property
log10WS -1.56 Crippen Calculated Property
logPoct/wat 1.530 Crippen Calculated Property
McVol 113.320 ml/mol McGowan Calculated Property
Pc 3668.65 kPa Joback Calculated Property
Inp [959.00; 1002.00]   Show Hide
Inp 1002.00 NIST
Inp 994.00 NIST
Inp 959.00 NIST
Inp 967.00 NIST
Inp 959.00 NIST
Inp 967.00 NIST
Inp 959.00 NIST
Inp 967.00 NIST
Inp 1002.00 NIST
Inp 967.00 NIST
Inp 967.00 NIST
I [1469.00; 1477.00]   Show Hide
I 1469.00 NIST
I 1477.00 NIST
I 1469.00 NIST
Tboil 452.53 K Joback Calculated Property
Tc 662.92 K Joback Calculated Property
Tfus 213.77 K Joback Calculated Property
Vc 0.419 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [222.16; 282.93] J/mol×K [452.53; 662.92] Show Hide
Cp,gas 222.16 J/mol×K 452.53 Joback Calculated Property
Cp,gas 233.66 J/mol×K 487.60 Joback Calculated Property
Cp,gas 244.60 J/mol×K 522.66 Joback Calculated Property
Cp,gas 254.97 J/mol×K 557.73 Joback Calculated Property
Cp,gas 264.81 J/mol×K 592.79 Joback Calculated Property
Cp,gas 274.12 J/mol×K 627.86 Joback Calculated Property
Cp,gas 282.93 J/mol×K 662.92 Joback Calculated Property

Similar Compounds

4-Mercapto-3-methyl-2-pentanone, # 1. 4-Mercapto-3-methyl-2-pentanone, # 2. 5-Methyl-4-mercapto-2-hexanone. 5-Methyl-4-mercaptohexan-2-one. 3-Sulfanyl-2-methylbutan-1-thiol. 3-Mercapto-2-methylpentanal, # 2. 3-Mercapto-2-methylpentanal, # 1. 3-Mercapto-2-methylpentanal. 3-Methylpentan-2-thiol, threo. 3-Methylpentan-2-thiol, erythro. 3-mercapto-4-methyl-2-pentanone. (2S,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone. cis-8-Mercapto-p-menthan-3-one. Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, trans-. cis-2-Methylcyclohexane-1-thiol.

Find more compounds similar to 4-Mercapto-3-methylpentan-2-one.

Sources

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