Chemical Properties of 1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #1

1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #1

InChI
InChI=1S/C6H12S4/c1-4-7-5(2)9-10-6(3)8-4/h4-6H,1-3H3
InChI Key
WMWRKEXBIGLGBW-UHFFFAOYSA-N
Formula
C6H12S4
SMILES
CC1SSC(C)SC(C)S1
Molecular Weight1
212.43
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Physical Properties

Property Value Unit Source
Δfus 17.80 kJ/mol Joback Calculated Property
IE 8.23 eV Relay (1.0) Calculated Property
logPoct/wat 3.886 Crippen Calculated Property
McVol 149.940 ml/mol McGowan Calculated Property
Inp [1511.00; 1526.00]   Show Hide
Inp 1526.00 NIST
Inp 1511.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [315.07; 400.73] J/mol×K [542.48; 821.95] Show Hide
Cp,gas 315.07 J/mol×K 542.48 Joback Calculated Property
Cp,gas 332.22 J/mol×K 589.06 Joback Calculated Property
Cp,gas 348.20 J/mol×K 635.64 Joback Calculated Property
Cp,gas 363.03 J/mol×K 682.22 Joback Calculated Property
Cp,gas 376.73 J/mol×K 728.79 Joback Calculated Property
Cp,gas 389.29 J/mol×K 775.37 Joback Calculated Property
Cp,gas 400.73 J/mol×K 821.95 Joback Calculated Property

Similar Compounds

1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #3. 1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #2. 3,5-Dimethyl-[1,2,4]trithiolane, stereoisomer 2. 3,5-dimethyl-1,2,4-trithiolane isomer. 1,2,4-Trithiolane, 3,5-dimethyl-. 1,2,4-Trithiolane, 3,5-dimethyl, #1. anti-3,5-dimethyl-1,2,4-trithiolane. 3,5-Dimethyl-[1,2,4]trithiolane, stereoisomer 1. 1,2,4-Trithiolane, 3,5-dimethyl, #2. 3-Methyl-1,2,4-trithiane. 3-ethyl-5-methyl-1,2,4-trithiolane, A. 3-Ethyl-5-methyl-1,2,4-trithiolane. 3-ethyl-5-methyl-1,2,4-trithiolane, B. cis-3-ethyl-5-methyl-1,2,4-trithiolane. trans-3-ethyl-5-methyl-1,2,4-trithiolane.

Find more compounds similar to 1,2,4,6-Tetrathiepane, 3,5,7-trimethyl, #1.

Sources

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