Chemical Properties of 2-Pentanone, 4-mercapto-4-methyl- (CAS 19872-52-7)

2-Pentanone, 4-mercapto-4-methyl-

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InChI
InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChI Key
QRNZMFDCKKEPSX-UHFFFAOYSA-N
Formula
C6H12OS
SMILES
CC(=O)CC(C)(C)S
Molecular Weight1
132.22
CAS
19872-52-7
Other Names
  • 4-Methyl-4-thiolpentan-2-one
  • 4-Methyl-4-sulfanyl-2-pentanone
  • 4-Mercapto-4-methyl-2-pentanone
  • 4-Mercapto-4-methyl-pentan-2-one
  • 4-Methyl-4-mercapto-2-pentanone
  • 4-Sulfanyl-4-methylpentan-2-one
  • 4-Sulphanyl-4-methylpentan-2-one
  • 4-methyl-4-sulfanylpentan-2-one
  • 4-Methyl-4-mercaptopentan-2-one

Physical Properties

Property Value Unit Source
Δf -97.05 kJ/mol Joback Calculated Property
Δfgas -250.02 kJ/mol Joback Calculated Property
Δfus 9.52 kJ/mol Joback Calculated Property
Δvap 41.14 kJ/mol Joback Calculated Property
log10WS -1.80 Crippen Calculated Property
logPoct/wat 1.674 Crippen Calculated Property
McVol 113.320 ml/mol McGowan Calculated Property
Pc 3682.02 kPa Joback Calculated Property
Inp [915.00; 968.00]   Show Hide
Inp 924.00 NIST
Inp 944.00 NIST
Inp Outlier 968.00 NIST
Inp 941.00 NIST
Inp 943.00 NIST
Inp 942.00 NIST
Inp 937.00 NIST
Inp 942.00 NIST
Inp 934.00 NIST
Inp 944.00 NIST
Inp 944.00 NIST
Inp 940.00 NIST
Inp 915.00 NIST
Inp 948.00 NIST
Inp 915.00 NIST
Inp 915.00 NIST
Inp 915.00 NIST
Inp 940.00 NIST
Inp 915.00 NIST
Inp 944.00 NIST
Inp 944.00 NIST
Inp 915.00 NIST
Inp 940.00 NIST
Inp 942.00 NIST
I [1363.00; 1397.00]   Show Hide
I 1389.00 NIST
I 1395.00 NIST
I 1382.00 NIST
I 1373.00 NIST
I 1390.00 NIST
I 1386.00 NIST
I 1377.00 NIST
I 1381.00 NIST
I Outlier 1363.00 NIST
I 1383.00 NIST
I 1395.00 NIST
I 1391.00 NIST
I 1383.00 NIST
I 1384.00 NIST
I 1380.00 NIST
I 1397.00 NIST
I 1394.00 NIST
I 1380.00 NIST
I 1380.00 NIST
I 1389.00 NIST
I 1387.00 NIST
I 1374.00 NIST
I 1381.00 NIST
I 1383.00 NIST
I 1382.00 NIST
I 1387.00 NIST
I 1382.00 NIST
I Outlier 1366.00 NIST
I Outlier 1366.00 NIST
I 1381.00 NIST
I 1383.00 NIST
I 1380.00 NIST
Tboil 450.18 K Joback Calculated Property
Tc 664.66 K Joback Calculated Property
Tfus 246.19 K Joback Calculated Property
Vc 0.420 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [224.71; 286.35] J/mol×K [450.18; 664.66] Show Hide
Cp,gas 224.71 J/mol×K 450.18 Joback Calculated Property
Cp,gas 236.73 J/mol×K 485.93 Joback Calculated Property
Cp,gas 247.99 J/mol×K 521.67 Joback Calculated Property
Cp,gas 258.56 J/mol×K 557.42 Joback Calculated Property
Cp,gas 268.45 J/mol×K 593.17 Joback Calculated Property
Cp,gas 277.70 J/mol×K 628.92 Joback Calculated Property
Cp,gas 286.35 J/mol×K 664.66 Joback Calculated Property

Similar Compounds

4-Mercapto-4-methyl-2-pentanone. 4-Mercapto-4-methylpentan-2-one. 4-Methyl-4-mercaptopentan-2-one. Thiocyanic acid, 1,1-dimethyl-3-oxobutyl ester. 2,4,4-trimethylpentane-2-thiol. 4-mercaptopentan-2-ol. 4-Mercaptopentan-2-one. 2-Pentanethiol, 2-methyl-. 5-Mercaptohexan-3-one. 3-Mercapto-3-methylbutanal. 3-Methyl-3-sulfanylbutanal. Cyclopentanethiol, 1-methyl-. 2-Undecanethiol, 2-methyl-. tert-Nonyl mercaptan. 1-Methylcyclohexane-1-thiol.

Find more compounds similar to 2-Pentanone, 4-mercapto-4-methyl-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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