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

Methional

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
  • 3-(Methylmercapto)propionaldehyde
  • 3-(Methylthio)propanal
  • 3-(Methylthio)propionaldehyde
  • 3-(Methythio)-propanal
  • 3-(methylsulfanyl)propanal
  • 3-(methylthio)propanal (methional)
  • 3-(methylthio)propionaldehyde (methional)
  • 3-(methylthiol)propanal
  • 3-Methylmercaptopropyl aldehyde
  • 3-Methylthio-1-propanal
  • 3-Methylthiopropional
  • 4-Thiapentanal
  • Methylmercaptopropionic aldehyde
  • NSC 15874
  • Propanal, 3-(methylthio)-
  • Propionaldehyde, 3-(methylthio)-
  • UN 2785
  • «beta»-(Methylmercapto)propionaldehyde
  • «beta»-(Methylthio)propionaldehyde
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
ω 0.3386 Relay (1.0) Calculated Property
ΔfG° -83.60 kJ/mol Joback Calculated Property
ΔfH°gas -177.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.53 kJ/mol Joback Calculated Property
ΔvapH° 48.77 kJ/mol Relay (1.0) Calculated Property
IE 9.08 eV Relay (1.0) Calculated Property
log10WS 0.69 Relay (1.0) 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 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 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 864.00 NIST
Inp 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
Inp 910.00 NIST
Inp 916.00 NIST
Inp Outlier 861.00 NIST
Inp 905.00 NIST
Inp Outlier 862.00 NIST
Inp 906.00 NIST
Inp 909.00 NIST
Inp 864.00 NIST
Inp 908.00 NIST
Inp 911.00 NIST
Ip [1414.00; 1499.00]   Show Hide
Ip 1480.00 NIST
Ip 1480.00 NIST
Ip 1455.00 NIST
Ip 1466.00 NIST
Ip Outlier 1495.00 NIST
Ip 1442.00 NIST
Ip 1465.00 NIST
Ip 1451.00 NIST
Ip 1454.00 NIST
Ip 1469.00 NIST
Ip 1444.00 NIST
Ip 1452.00 NIST
Ip 1453.00 NIST
Ip 1480.00 NIST
Ip 1469.00 NIST
Ip 1445.00 NIST
Ip 1455.00 NIST
Ip 1456.00 NIST
Ip 1453.00 NIST
Ip 1453.00 NIST
Ip 1433.00 NIST
Ip Outlier 1423.00 NIST
Ip 1452.00 NIST
Ip 1463.00 NIST
Ip 1482.00 NIST
Ip 1462.00 NIST
Ip 1429.00 NIST
Ip 1450.00 NIST
Ip Outlier 1497.00 NIST
Ip 1450.00 NIST
Ip 1451.00 NIST
Ip 1470.00 NIST
Ip 1469.00 NIST
Ip 1443.00 NIST
Ip 1464.00 NIST
Ip 1433.00 NIST
Ip 1450.00 NIST
Ip 1452.00 NIST
Ip 1463.00 NIST
Ip 1461.00 NIST
Ip 1427.00 NIST
Ip 1443.00 NIST
Ip 1456.00 NIST
Ip 1455.00 NIST
Ip 1440.00 NIST
Ip 1445.00 NIST
Ip 1430.00 NIST
Ip 1431.00 NIST
Ip 1431.00 NIST
Ip 1461.00 NIST
Ip 1477.00 NIST
Ip 1443.00 NIST
Ip 1456.00 NIST
Ip 1456.00 NIST
Ip 1472.00 NIST
Ip 1460.00 NIST
Ip 1456.00 NIST
Ip 1426.00 NIST
Ip 1463.00 NIST
Ip 1477.00 NIST
Ip 1473.00 NIST
Ip 1477.00 NIST
Ip 1453.00 NIST
Ip 1443.00 NIST
Ip 1451.00 NIST
Ip 1463.00 NIST
Ip 1439.00 NIST
Ip 1449.00 NIST
Ip 1436.00 NIST
Ip 1452.00 NIST
Ip 1454.00 NIST
Ip 1479.00 NIST
Ip 1479.00 NIST
Ip 1479.00 NIST
Ip 1479.00 NIST
Ip 1453.00 NIST
Ip 1450.00 NIST
Ip 1455.00 NIST
Ip 1456.00 NIST
Ip 1439.00 NIST
Ip 1458.00 NIST
Ip 1462.00 NIST
Ip 1456.00 NIST
Ip Outlier 1499.00 NIST
Ip 1450.00 NIST
Ip 1485.00 NIST
Ip Outlier 1490.00 NIST
Ip 1462.00 NIST
Ip 1451.00 NIST
Ip 1471.00 NIST
Ip 1455.00 NIST
Ip 1454.00 NIST
Ip 1448.00 NIST
Ip 1448.00 NIST
Ip 1451.00 NIST
Ip 1457.00 NIST
Ip 1449.00 NIST
Ip 1448.00 NIST
Ip 1456.00 NIST
Ip 1460.00 NIST
Ip 1432.00 NIST
Ip 1432.00 NIST
Ip 1452.00 NIST
Ip 1450.00 NIST
Ip 1473.00 NIST
Ip 1449.00 NIST
Ip 1448.00 NIST
Ip 1448.00 NIST
Ip 1450.00 NIST
Ip 1457.00 NIST
Ip 1449.00 NIST
Ip 1475.00 NIST
Ip 1449.00 NIST
Ip 1484.00 NIST
Ip 1482.00 NIST
Ip 1449.00 NIST
Ip 1427.00 NIST
Ip 1451.00 NIST
Ip 1460.00 NIST
Ip 1454.00 NIST
Ip 1461.00 NIST
Ip 1452.00 NIST
Ip 1460.00 NIST
Ip 1449.00 NIST
Ip 1462.00 NIST
Ip 1430.00 NIST
Ip 1476.00 NIST
Ip 1445.00 NIST
Ip 1463.00 NIST
Ip 1474.00 NIST
Ip 1469.00 NIST
Ip 1431.00 NIST
Ip 1448.00 NIST
Ip 1453.00 NIST
Ip 1469.00 NIST
Ip 1482.00 NIST
Ip 1436.00 NIST
Ip 1436.00 NIST
Ip 1474.00 NIST
Ip 1451.00 NIST
Ip 1453.00 NIST
Ip 1456.00 NIST
Ip 1468.00 NIST
Ip 1458.00 NIST
Ip 1446.00 NIST
Ip 1469.00 NIST
Ip 1470.00 NIST
Ip 1461.00 NIST
Ip 1469.00 NIST
Ip 1456.00 NIST
Ip 1441.00 NIST
Ip 1440.00 NIST
Ip 1479.00 NIST
Ip 1457.00 NIST
Ip 1474.00 NIST
Ip 1474.00 NIST
Ip 1449.00 NIST
Ip 1465.00 NIST
Ip 1459.00 NIST
Ip 1456.00 NIST
Ip 1465.00 NIST
Ip Outlier 1492.00 NIST
Ip 1426.00 NIST
Ip 1455.00 NIST
Ip 1446.00 NIST
Ip 1450.00 NIST
Ip 1465.00 NIST
Ip 1458.00 NIST
Ip Outlier 1421.00 NIST
Ip 1428.00 NIST
Ip 1425.00 NIST
Ip 1440.00 NIST
Ip 1470.00 NIST
Ip 1452.00 NIST
Ip 1452.00 NIST
Ip 1452.00 NIST
Ip 1449.00 NIST
Ip 1471.00 NIST
Ip 1460.00 NIST
Ip 1469.00 NIST
Ip Outlier 1418.00 NIST
Ip Outlier 1414.00 NIST
Ip 1449.00 NIST
Ip 1449.00 NIST
Ip 1449.00 NIST
Ip 1449.00 NIST
Ip 1449.00 NIST
Ip 1465.00 NIST
Ip 1452.00 NIST
Ip 1468.00 NIST
Ip 1461.00 NIST
Ip 1458.00 NIST
Ip 1446.00 NIST
Ip 1427.00 NIST
Ip Outlier 1495.00 NIST
Ip 1449.00 NIST
Ip 1450.00 NIST
Ip 1439.00 NIST
Ip 1448.00 NIST
Ip 1444.00 NIST
Ip 1465.00 NIST
Ip 1445.00 NIST
Ip 1451.00 NIST
Ip 1445.00 NIST
Ip 1458.00 NIST
Ip 1455.00 NIST
Ip 1482.00 NIST
Ip 1454.00 NIST
Ip 1462.00 NIST
Ip 1474.00 NIST
Ip 1469.00 NIST
Ip 1451.00 NIST
Ip 1446.00 NIST
Ip 1456.00 NIST
Ip 1428.00 NIST
Ip 1480.00 NIST
Ip 1442.00 NIST
Ip 1444.00 NIST
Ip 1445.00 NIST
Ip 1433.00 NIST
Ip 1427.00 NIST
Ip 1477.00 NIST
Ip 1460.00 NIST
Ip 1473.00 NIST
Ip 1463.00 NIST
Ip 1453.00 NIST
Tboil 438.70 K NIST
Tc 658.20 K Relay (1.0) Calculated Property
Tfus 215.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.295 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [115.75; 243.06] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.02520e+01
Coefficient B3.52710e-01
Coefficient C-1.46600e-04
Coefficient D6.70000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 115.75 J/mol×K 273.00 Calculated Property
Cp,gas 136.98 J/mol×K 353.78 Calculated Property
Cp,gas 156.39 J/mol×K 434.56 Calculated Property
Cp,gas 174.00 J/mol×K 515.33 Calculated Property
Cp,gas 189.83 J/mol×K 596.11 Calculated Property
Cp,gas 203.91 J/mol×K 676.89 Calculated Property
Cp,gas 216.25 J/mol×K 757.67 Calculated Property
Cp,gas 226.87 J/mol×K 838.44 Calculated Property
Cp,gas 235.80 J/mol×K 919.22 Calculated Property
Cp,gas 243.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.