Chemical Properties of 1,4,7,10-Tetrathiacyclododecane

1,4,7,10-Tetrathiacyclododecane

InChI
InChI=1S/C8H16S4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
InChI Key
MULBAFLKPUVJKC-UHFFFAOYSA-N
Formula
C8H16S4
SMILES
C1CSCCSCCSCCS1
Molecular Weight1
240.48
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Physical Properties

Property Value Unit Source
ω 0.2222 Relay (1.0) Calculated Property
ΔfH°gas -117.28 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 9.27 kJ/mol Joback Calculated Property
ΔvapH° 93.75 kJ/mol Relay (1.0) Calculated Property
IE 8.29 eV Relay (1.0) Calculated Property
logPoct/wat 2.933 Crippen Calculated Property
McVol 178.120 ml/mol McGowan Calculated Property
Pc 3801.00 kPa Joback Calculated Property
Tboil 623.25 K Relay (1.0) Calculated Property
Tc 858.70 K Relay (1.0) Calculated Property
Tfus 420.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 31.00 kJ/mol 499.20 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 434.20 K 0.07 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [203.62; 526.47] 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 A-1.93700e+01
Coefficient B9.12440e-01
Coefficient C-3.44200e-04
Coefficient D-2.24000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 203.62 J/mol×K 273.00 Calculated Property
Cp,gas 259.36 J/mol×K 353.78 Calculated Property
Cp,gas 310.30 J/mol×K 434.56 Calculated Property
Cp,gas 356.37 J/mol×K 515.33 Calculated Property
Cp,gas 397.49 J/mol×K 596.11 Calculated Property
Cp,gas 433.60 J/mol×K 676.89 Calculated Property
Cp,gas 464.62 J/mol×K 757.67 Calculated Property
Cp,gas 490.49 J/mol×K 838.44 Calculated Property
Cp,gas 511.13 J/mol×K 919.22 Calculated Property
Cp,gas 526.47 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2-Bis(ethylthio)ethane. 1,4-Dithiane. 2,5-dithiaheptane. Ethanethiol, 2,2'-thiobis-. Bis[(2-chloroethyltyio)ethyl] sulfide. Sesquimustard. 3-Thia-1-pentanethiol. Ethane, 1,2-bis(methylthio)-. 2-methyl-3,6-dithiaheptane. Ethane, 1,2-bis(isopropylthio)-. 1,4-Dithiane-1-oxide. 4,7-dithia-1,9-decadiene. 3,6-dithianonane. Ethanol, 2,2'-[1,2-ethanediylbis(thio)]bis-. 2,5-dithiaoctane.

Find more compounds similar to 1,4,7,10-Tetrathiacyclododecane.

Sources

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