Chemical Properties of Methional (CAS 3268-49-3)

Methional

PDF Excel Molecule Calculator
InChI
InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChI Key
CLUWOWRTHNNBBU-UHFFFAOYSA-N
Formula
C4H8OS
SMILES
CSCCC=O
Molecular Weight1
104.17
CAS
3268-49-3
Other Names
  • Propanal, 3-(methylthio)-
  • Propionaldehyde, 3-(methylthio)-
  • «beta»-(Methylmercapto)propionaldehyde
  • «beta»-(Methylthio)propionaldehyde
  • 3-(Methylmercapto)propionaldehyde
  • 3-(Methylthio)propionaldehyde
  • 3-Methylthiopropional
  • Methylmercaptopropionic aldehyde
  • 3-(Methylthio)propanal
  • 4-Thiapentanal
  • UN 2785
  • 3-(Methythio)-propanal
  • 3-Methylmercaptopropyl aldehyde
  • NSC 15874
  • 3-(methylthio)propanal (methional)
  • 3-Methylthio-1-propanal
  • 3-(methylsulfanyl)propanal
  • 3-(methylthio)propionaldehyde (methional)
  • 3-(methylthiol)propanal
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -83.60 kJ/mol Joback Calculated Property
Δfgas -169.60 kJ/mol Joback Calculated Property
Δfus 12.53 kJ/mol Joback Calculated Property
Δvap 38.03 kJ/mol Joback Calculated Property
log10WS -0.66 Crippen Calculated Property
logPoct/wat 0.938 Crippen Calculated Property
McVol 85.140 ml/mol McGowan Calculated Property
Pc 4379.97 kPa Joback Calculated Property
Inp [856.00; 932.00]   Show Hide
Inp 903.00 NIST
Inp 914.00 NIST
Inp 904.00 NIST
Inp 906.00 NIST
Inp 912.00 NIST
Inp 903.00 NIST
Inp 894.00 NIST
Inp 910.00 NIST
Inp Outlier 861.00 NIST
Inp Outlier 863.00 NIST
Inp Outlier 861.00 NIST
Inp Outlier 863.00 NIST
Inp 908.00 NIST
Inp 902.00 NIST
Inp 920.00 NIST
Inp 906.00 NIST
Inp 914.00 NIST
Inp 900.00 NIST
Inp 905.00 NIST
Inp 905.00 NIST
Inp 932.00 NIST
Inp 904.00 NIST
Inp 915.00 NIST
Inp 909.00 NIST
Inp 910.00 NIST
Inp 911.00 NIST
Inp 911.00 NIST
Inp 911.00 NIST
Inp 906.00 NIST
Inp 904.00 NIST
Inp 902.00 NIST
Inp 904.00 NIST
Inp 905.00 NIST
Inp 918.00 NIST
Inp 906.00 NIST
Inp 906.00 NIST
Inp 903.00 NIST
Inp 925.00 NIST
Inp 899.00 NIST
Inp 909.00 NIST
Inp 910.00 NIST
Inp 908.00 NIST
Inp 906.00 NIST
Inp 910.00 NIST
Inp 906.00 NIST
Inp 917.00 NIST
Inp 917.00 NIST
Inp 918.00 NIST
Inp 904.00 NIST
Inp 907.00 NIST
Inp 867.00 NIST
Inp 921.00 NIST
Inp 909.00 NIST
Inp 905.10 NIST
Inp 909.00 NIST
Inp 910.00 NIST
Inp 898.00 NIST
Inp 909.00 NIST
Inp 924.00 NIST
Inp 928.00 NIST
Inp 908.00 NIST
Inp 909.00 NIST
Inp 909.00 NIST
Inp 910.00 NIST
Inp 890.00 NIST
Inp Outlier 864.00 NIST
Inp 866.00 NIST
Inp 872.00 NIST
Inp 880.00 NIST
Inp 909.00 NIST
Inp 901.00 NIST
Inp 905.00 NIST
Inp 925.00 NIST
Inp 911.00 NIST
Inp 906.00 NIST
Inp 909.00 NIST
Inp 907.00 NIST
Inp 911.00 NIST
Inp 908.00 NIST
Inp 897.00 NIST
Inp 897.00 NIST
Inp 911.00 NIST
Inp 914.00 NIST
Inp 909.00 NIST
Inp 904.00 NIST
Inp 902.00 NIST
Inp 904.00 NIST
Inp 904.00 NIST
Inp 916.00 NIST
Inp 901.00 NIST
Inp 902.00 NIST
Inp 929.00 NIST
Inp 904.00 NIST
Inp 924.00 NIST
Inp 905.00 NIST
Inp 916.00 NIST
Inp 905.00 NIST
Inp 904.00 NIST
Inp 904.00 NIST
Inp 905.00 NIST
Inp 912.00 NIST
Inp 900.00 NIST
Inp 902.00 NIST
Inp 902.00 NIST
Inp 906.00 NIST
Inp 906.00 NIST
Inp 900.00 NIST
Inp 910.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 908.00 NIST
Inp 908.00 NIST
Inp 908.00 NIST
Inp 906.00 NIST
Inp 911.00 NIST
Inp 909.00 NIST
Inp 908.00 NIST
Inp 909.00 NIST
Inp 901.00 NIST
Inp 910.00 NIST
Inp 912.00 NIST
Inp 907.00 NIST
Inp 908.00 NIST
Inp 914.00 NIST
Inp 916.00 NIST
Inp 904.00 NIST
Inp 905.00 NIST
Inp 908.00 NIST
Inp 906.00 NIST
Inp Outlier 861.00 NIST
Inp 865.00 NIST
Inp 908.00 NIST
Inp 907.00 NIST
Inp 910.00 NIST
Inp 905.00 NIST
Inp 907.00 NIST
Inp 901.00 NIST
Inp 870.00 NIST
Inp 902.00 NIST
Inp 910.00 NIST
Inp 911.00 NIST
Inp 910.00 NIST
Inp 904.00 NIST
Inp 900.00 NIST
Inp Outlier 862.00 NIST
Inp 903.00 NIST
Inp 903.00 NIST
Inp 904.00 NIST
Inp 905.00 NIST
Inp 906.00 NIST
Inp 911.00 NIST
Inp 879.00 NIST
Inp 907.00 NIST
Inp 911.00 NIST
Inp 909.00 NIST
Inp 908.00 NIST
Inp 905.00 NIST
Inp 905.00 NIST
Inp 900.00 NIST
Inp Outlier 861.00 NIST
Inp 898.00 NIST
Inp 905.00 NIST
Inp Outlier 863.00 NIST
Inp Outlier 861.00 NIST
Inp Outlier 864.00 NIST
Inp 908.00 NIST
Inp 908.00 NIST
Inp 908.00 NIST
Inp Outlier 856.00 NIST
Inp 908.00 NIST
Inp 908.00 NIST
Inp 875.00 NIST
Inp Outlier 856.00 NIST
Inp 872.00 NIST
Inp 911.00 NIST
Inp 874.00 NIST
Inp 908.00 NIST
Inp Outlier 856.00 NIST
Inp Outlier 861.00 NIST
Inp Outlier 862.00 NIST
Inp 918.00 NIST
Inp 905.00 NIST
Inp 905.00 NIST
Inp 871.00 NIST
Inp 870.00 NIST
Inp 866.00 NIST
Inp 905.00 NIST
Inp 900.00 NIST
Inp 914.00 NIST
Inp 865.00 NIST
Inp 905.00 NIST
Inp 907.00 NIST
Inp 896.00 NIST
Inp 866.00 NIST
Inp Outlier 863.00 NIST
Inp Outlier 861.00 NIST
Inp Outlier 863.00 NIST
Inp Outlier 863.00 NIST
Inp Outlier 863.00 NIST
Inp 870.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp Outlier 864.00 NIST
Inp Outlier 864.00 NIST
Inp 908.00 NIST
Inp 908.00 NIST
Inp 915.00 NIST
Inp 879.00 NIST
Inp 874.00 NIST
Inp 912.00 NIST
Inp 909.00 NIST
Inp 911.00 NIST
Inp 906.00 NIST
Inp 903.00 NIST
Inp 866.00 NIST
Inp 866.00 NIST
Inp 919.00 NIST
Inp 908.00 NIST
Inp 911.00 NIST
Inp 872.00 NIST
Inp 870.00 NIST
Inp 907.00 NIST
Inp Outlier 862.00 NIST
Inp 905.00 NIST
Inp 905.00 NIST
Inp 907.00 NIST
Inp 900.00 NIST
Inp 906.00 NIST
Inp 908.00 NIST
Inp 872.00 NIST
Inp 905.00 NIST
Inp 904.00 NIST
Inp 905.00 NIST
Inp 908.00 NIST
Inp 909.00 NIST
Inp 909.00 NIST
I [1414.00; 1499.00]   Show Hide
I 1480.00 NIST
I 1480.00 NIST
I 1455.00 NIST
I 1466.00 NIST
I Outlier 1495.00 NIST
I 1442.00 NIST
I 1465.00 NIST
I 1451.00 NIST
I 1454.00 NIST
I 1469.00 NIST
I 1444.00 NIST
I 1452.00 NIST
I 1453.00 NIST
I 1480.00 NIST
I 1469.00 NIST
I 1445.00 NIST
I 1455.00 NIST
I 1456.00 NIST
I 1453.00 NIST
I 1453.00 NIST
I 1433.00 NIST
I Outlier 1423.00 NIST
I 1452.00 NIST
I 1463.00 NIST
I 1482.00 NIST
I 1462.00 NIST
I 1429.00 NIST
I 1450.00 NIST
I Outlier 1497.00 NIST
I 1450.00 NIST
I 1451.00 NIST
I 1470.00 NIST
I 1469.00 NIST
I 1443.00 NIST
I 1464.00 NIST
I 1433.00 NIST
I 1450.00 NIST
I 1452.00 NIST
I 1463.00 NIST
I 1461.00 NIST
I 1427.00 NIST
I 1443.00 NIST
I 1456.00 NIST
I 1455.00 NIST
I 1440.00 NIST
I 1445.00 NIST
I 1430.00 NIST
I 1431.00 NIST
I 1431.00 NIST
I 1461.00 NIST
I 1477.00 NIST
I 1443.00 NIST
I 1456.00 NIST
I 1456.00 NIST
I 1472.00 NIST
I 1460.00 NIST
I 1456.00 NIST
I 1426.00 NIST
I 1463.00 NIST
I 1477.00 NIST
I 1473.00 NIST
I 1477.00 NIST
I 1453.00 NIST
I 1443.00 NIST
I 1451.00 NIST
I 1463.00 NIST
I 1439.00 NIST
I 1449.00 NIST
I 1436.00 NIST
I 1452.00 NIST
I 1454.00 NIST
I 1479.00 NIST
I 1479.00 NIST
I 1479.00 NIST
I 1479.00 NIST
I 1453.00 NIST
I 1450.00 NIST
I 1455.00 NIST
I 1456.00 NIST
I 1439.00 NIST
I 1458.00 NIST
I 1462.00 NIST
I 1456.00 NIST
I Outlier 1499.00 NIST
I 1450.00 NIST
I 1485.00 NIST
I Outlier 1490.00 NIST
I 1462.00 NIST
I 1451.00 NIST
I 1471.00 NIST
I 1455.00 NIST
I 1454.00 NIST
I 1448.00 NIST
I 1448.00 NIST
I 1451.00 NIST
I 1457.00 NIST
I 1449.00 NIST
I 1448.00 NIST
I 1456.00 NIST
I 1460.00 NIST
I 1432.00 NIST
I 1432.00 NIST
I 1452.00 NIST
I 1450.00 NIST
I 1473.00 NIST
I 1449.00 NIST
I 1448.00 NIST
I 1448.00 NIST
I 1450.00 NIST
I 1457.00 NIST
I 1449.00 NIST
I 1475.00 NIST
I 1449.00 NIST
I 1484.00 NIST
I 1482.00 NIST
I 1449.00 NIST
I 1427.00 NIST
I 1451.00 NIST
I 1460.00 NIST
I 1454.00 NIST
I 1461.00 NIST
I 1452.00 NIST
I 1460.00 NIST
I 1449.00 NIST
I 1462.00 NIST
I 1430.00 NIST
I 1476.00 NIST
I 1445.00 NIST
I 1463.00 NIST
I 1474.00 NIST
I 1469.00 NIST
I 1431.00 NIST
I 1448.00 NIST
I 1453.00 NIST
I 1469.00 NIST
I 1482.00 NIST
I 1436.00 NIST
I 1436.00 NIST
I 1474.00 NIST
I 1451.00 NIST
I 1453.00 NIST
I 1456.00 NIST
I 1468.00 NIST
I 1458.00 NIST
I 1446.00 NIST
I 1469.00 NIST
I 1470.00 NIST
I 1461.00 NIST
I 1469.00 NIST
I 1456.00 NIST
I 1441.00 NIST
I 1440.00 NIST
I 1479.00 NIST
I 1457.00 NIST
I 1474.00 NIST
I 1474.00 NIST
I 1449.00 NIST
I 1465.00 NIST
I 1459.00 NIST
I 1456.00 NIST
I 1465.00 NIST
I Outlier 1492.00 NIST
I 1426.00 NIST
I 1455.00 NIST
I 1446.00 NIST
I 1450.00 NIST
I 1465.00 NIST
I 1458.00 NIST
I Outlier 1421.00 NIST
I 1428.00 NIST
I 1425.00 NIST
I 1440.00 NIST
I 1470.00 NIST
I 1452.00 NIST
I 1452.00 NIST
I 1452.00 NIST
I 1449.00 NIST
I 1471.00 NIST
I 1460.00 NIST
I 1469.00 NIST
I Outlier 1418.00 NIST
I Outlier 1414.00 NIST
I 1449.00 NIST
I 1449.00 NIST
I 1449.00 NIST
I 1449.00 NIST
I 1449.00 NIST
I 1465.00 NIST
I 1452.00 NIST
I 1468.00 NIST
I 1461.00 NIST
I 1458.00 NIST
I 1446.00 NIST
I 1427.00 NIST
I Outlier 1495.00 NIST
I 1449.00 NIST
I 1450.00 NIST
I 1439.00 NIST
I 1448.00 NIST
I 1444.00 NIST
I 1465.00 NIST
I 1445.00 NIST
I 1451.00 NIST
I 1445.00 NIST
I 1458.00 NIST
I 1455.00 NIST
I 1482.00 NIST
I 1454.00 NIST
I 1462.00 NIST
I 1474.00 NIST
I 1469.00 NIST
I 1451.00 NIST
I 1446.00 NIST
I 1456.00 NIST
I 1428.00 NIST
I 1480.00 NIST
I 1442.00 NIST
I 1444.00 NIST
I 1445.00 NIST
I 1433.00 NIST
I 1427.00 NIST
I 1477.00 NIST
I 1460.00 NIST
I 1473.00 NIST
I 1463.00 NIST
I 1453.00 NIST
Tboil 438.70 K NIST
Tc 607.86 K Joback Calculated Property
Tfus 211.24 K Joback Calculated Property
Vc 0.331 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [150.29; 191.99] J/mol×K [408.36; 607.86] Show Hide
Cp,gas 150.29 J/mol×K 408.36 Joback Calculated Property
Cp,gas 158.00 J/mol×K 441.61 Joback Calculated Property
Cp,gas 165.40 J/mol×K 474.86 Joback Calculated Property
Cp,gas 172.50 J/mol×K 508.11 Joback Calculated Property
Cp,gas 179.29 J/mol×K 541.36 Joback Calculated Property
Cp,gas 185.79 J/mol×K 574.61 Joback Calculated Property
Cp,gas 191.99 J/mol×K 607.86 Joback Calculated Property

Similar Compounds

Propane, 1-(methylthio)-. allyl thiopropanal. Propane, 1,3-bis(methylthio)-. Propanoic acid, 3-(methylthio)-. Propyl sulfide. 2-Butanone, 4-(methylthio)-. 4-Methylthio-2-butanone. Sulfide, ethyl propyl. 2-[Propylthio]ethanal. 2,6-dithiaoctane. 2,6-dithianonane. 4-Thia-1-pentanethiol. Butane, 1,4-bis(methylthio)-. Propane, 1-(methylsulfinyl)-. Butane, 1-(methylthio)-.

Find more compounds similar to Methional.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.