Chemical Properties of bis(1-methyl-2-oxopropyl)trisulfide

bis(1-methyl-2-oxopropyl)trisulfide

InChI
InChI=1S/C8H14O2S3/c1-5(9)7(3)11-13-12-8(4)6(2)10/h7-8H,1-4H3
InChI Key
WDCHVDPVOZRHQG-UHFFFAOYSA-N
Formula
C8H14O2S3
SMILES
CC(=O)C(C)SSSC(C)C(C)=O
Molecular Weight1
238.39
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Physical Properties

Property Value Unit Source
ω 0.4301 Relay (1.0) Calculated Property
ΔfH°gas -401.21 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.02 kJ/mol Joback Calculated Property
ΔvapH° 69.87 kJ/mol Relay (1.0) Calculated Property
IE 8.30 eV Relay (1.0) Calculated Property
log10WS -2.02 Relay (1.0) Calculated Property
logPoct/wat 2.971 Crippen Calculated Property
McVol 175.770 ml/mol McGowan Calculated Property
Pc 3110.57 kPa Joback Calculated Property
Inp 1731.00 NIST
Tboil 560.35 K Relay (1.0) Calculated Property
Tc 791.01 K Relay (1.0) Calculated Property
Tfus 313.88 K Relay (1.0) Calculated Property
Vc 0.585 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [237.92; 490.94] 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 A6.57700e+01
Coefficient B7.02850e-01
Coefficient C-2.59800e-04
Coefficient D-1.78800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 237.92 J/mol×K 273.00 Calculated Property
Cp,gas 281.11 J/mol×K 353.78 Calculated Property
Cp,gas 320.67 J/mol×K 434.56 Calculated Property
Cp,gas 356.53 J/mol×K 515.33 Calculated Property
Cp,gas 388.64 J/mol×K 596.11 Calculated Property
Cp,gas 416.94 J/mol×K 676.89 Calculated Property
Cp,gas 441.38 J/mol×K 757.67 Calculated Property
Cp,gas 461.90 J/mol×K 838.44 Calculated Property
Cp,gas 478.43 J/mol×K 919.22 Calculated Property
Cp,gas 490.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-[(1-methyl-2-oxopropyl)-trithio]-3-pentanone. bis(1-methyl-2-oxobutyl)trisulfide. 3-[(1-methyl-2-oxopropyl)-trithio]-2-pentanone. bis(1-ethyl-2-oxopropyl)trisulfide. bis-(1-Methyl-2-oxopropyl) disulfide, #1. bis-(1-Methyl-2-oxopropyl) disulfide, #2. bis(1-methyl-2-oxopropyl) disulfide. 3-[(1-methyl-2-oxobuty1)-trithio]-2-pentanone. 2-oxopropyl 3-oxo-2-butyl disulfide. 3-(2-Oxobutyldithio)butan-2-one. 2-Butyl methyl trisulphide. 3-methyl-1,2-dithiolan-4-one. 2-(1-Methyl-2-oxopropyldithio)pentan-3-one, #1. 2-[(1-methyl-2-oxopropy1)-dithio]-3-pentanone. 2-(1-Methyl-2-oxopropyldithio)pentan-3-one, #2.

Find more compounds similar to bis(1-methyl-2-oxopropyl)trisulfide.

Sources

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