- InChI
- InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
- InChI Key
- YWHLKYXPLRWGSE-UHFFFAOYSA-N
- Formula
- C2H6S3
- SMILES
- CSSSC
- Molecular Weight1
- 126.26
- CAS
- 3658-80-8
- Other Names
-
- 2,3,4-Trithiapentane
- CH3SSSCH3
- DMTS
- Dimethyl trisulphide
- Methyl trisulfide
- Trisulfide, dimethyl
- dimethyl trisufide
- Trithiomethane, methyl
- Methylsulfanyldisulfanylmethane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2461 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -8.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.33 | kJ/mol | Joback Calculated Property |
| IE | [8.73; 8.85] | eV |
|
| IE | 8.73 ± 0.03 | eV | NIST |
| IE | 8.80 ± 0.15 | eV | NIST |
| IE | 8.85 | eV | NIST |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.276 | Crippen Calculated Property | |
| McVol | 88.090 | ml/mol | McGowan Calculated Property |
| Pc | 5414.53 | kPa | Joback Calculated Property |
| Inp | [931.00; 994.00] |
|
|
| Inp | 949.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | Outlier 994.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 937.40 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 977.20 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | Outlier 932.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | Outlier 935.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | Outlier 934.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | Outlier 935.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | Outlier 931.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 977.20 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Ip | [1329.00; 1427.00] |
|
|
| Ip | 1400.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1373.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1370.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1385.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1373.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1361.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1404.00 | NIST | |
| Ip | 1357.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1386.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Ip | 1371.00 | NIST | |
| Ip | 1369.00 | NIST | |
| Ip | 1367.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1356.00 | NIST | |
| Ip | 1367.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1360.00 | NIST | |
| Ip | 1352.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1359.00 | NIST | |
| Ip | 1359.00 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1368.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1370.00 | NIST | |
| Ip | 1357.00 | NIST | |
| Ip | 1356.00 | NIST | |
| Ip | 1391.00 | NIST | |
| Ip | 1394.00 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1359.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1357.00 | NIST | |
| Ip | 1373.00 | NIST | |
| Ip | 1386.00 | NIST | |
| Ip | 1366.00 | NIST | |
| Ip | 1379.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1382.00 | NIST | |
| Ip | Outlier 1329.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1388.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1389.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1347.00 | NIST | |
| Ip | Outlier 1332.00 | NIST | |
| Ip | 1363.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | Outlier 1415.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1367.00 | NIST | |
| Ip | 1340.00 | NIST | |
| Ip | 1343.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1387.00 | NIST | |
| Ip | 1368.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1356.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | Outlier 1331.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Ip | 1354.00 | NIST | |
| Ip | 1355.00 | NIST | |
| Ip | 1367.00 | NIST | |
| Ip | 1384.00 | NIST | |
| Ip | 1398.00 | NIST | |
| Ip | Outlier 1421.00 | NIST | |
| Ip | Outlier 1427.00 | NIST | |
| Ip | 1347.00 | NIST | |
| Ip | 1347.00 | NIST | |
| Ip | Outlier 1339.00 | NIST | |
| Ip | 1392.00 | NIST | |
| Ip | 1360.00 | NIST | |
| Ip | 1412.00 | NIST | |
| Ip | 1408.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1368.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1369.00 | NIST | |
| Ip | 1364.00 | NIST | |
| Ip | 1354.00 | NIST | |
| Ip | 1367.00 | NIST | |
| Ip | 1399.00 | NIST | |
| Ip | 1398.00 | NIST | |
| Ip | 1364.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1350.00 | NIST | |
| Ip | 1385.00 | NIST | |
| Ip | 1392.00 | NIST | |
| Ip | 1391.00 | NIST | |
| Ip | 1358.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1374.00 | NIST | |
| Ip | 1368.00 | NIST | |
| Ip | 1382.00 | NIST | |
| Ip | 1389.00 | NIST | |
| Ip | 1374.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1392.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Ip | 1361.00 | NIST | |
| Ip | 1385.00 | NIST | |
| Ip | 1366.00 | NIST | |
| Ip | Outlier 1332.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1378.00 | NIST | |
| Ip | 1357.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1342.00 | NIST | |
| Ip | 1351.00 | NIST | |
| Ip | 1360.00 | NIST | |
| Ip | 1384.00 | NIST | |
| Ip | 1384.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1377.00 | NIST | |
| Ip | 1385.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1406.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1384.00 | NIST | |
| Ip | 1400.00 | NIST | |
| Tboil | 447.82 | K | Relay (1.0) Calculated Property |
| Tc | 714.67 | K | Relay (1.0) Calculated Property |
| Tfus | 246.80 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.42; 202.28] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.98700e+01 | |||
| Coefficient B | 1.77010e-01 | |||
| Coefficient C | 3.56000e-05 | |||
| Coefficient D | -7.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 123.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 137.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 150.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 163.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 174.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 183.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 191.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 198.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 202.28 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl trisulfide.
Sources
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property mean.
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