Chemical Properties of Disulfide, 1-methylethyl propyl (CAS 33672-51-4)

Disulfide, 1-methylethyl propyl

InChI
InChI=1S/C6H14S2/c1-4-5-7-8-6(2)3/h6H,4-5H2,1-3H3
InChI Key
YCBVTHJPQCNICU-UHFFFAOYSA-N
Formula
C6H14S2
SMILES
CCCSSC(C)C
Molecular Weight1
150.31
CAS
33672-51-4
Other Names
  • 1-(Isopropyldisulfanyl)propane
  • 2-Methyl-3,4-dithiaheptane
  • Disulfide, isopropyl propyl
  • Isopropyl propyl disulfide
  • Propyl isopropyl disulfide
  • isopropyl propyl disulphide
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
ΔfH°gas -119.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.03 kJ/mol Joback Calculated Property
ΔvapH° 50.50 kJ/mol Relay (1.0) Calculated Property
IE 8.32 eV Relay (1.0) Calculated Property
logPoct/wat 3.186 Crippen Calculated Property
McVol 128.100 ml/mol McGowan Calculated Property
Inp [1071.00; 1071.00]   Show Hide
Inp 1071.00 NIST
Inp 1071.00 NIST
Inp 1071.00 NIST
Ip [1358.00; 1358.00]   Show Hide
Ip 1358.00 NIST
Ip 1358.00 NIST
Tboil 457.00 ± 1.70 K NIST
Tfus 174.71 K Relay (1.0) Calculated Property
VCOSTALD 0.50 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 0.41 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra 0.27 Hankinson and Thomson (1979), COSTALD parameters Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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
ΔvapH 45.40 kJ/mol 408.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [173.46; 382.59] 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 A3.49520e+01
Coefficient B5.68540e-01
Coefficient C-2.25400e-04
Coefficient D4.50000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 173.46 J/mol×K 273.00 Calculated Property
Cp,gas 208.08 J/mol×K 353.78 Calculated Property
Cp,gas 239.82 J/mol×K 434.56 Calculated Property
Cp,gas 268.70 J/mol×K 515.33 Calculated Property
Cp,gas 294.72 J/mol×K 596.11 Calculated Property
Cp,gas 317.91 J/mol×K 676.89 Calculated Property
Cp,gas 338.28 J/mol×K 757.67 Calculated Property
Cp,gas 355.84 J/mol×K 838.44 Calculated Property
Cp,gas 370.61 J/mol×K 919.22 Calculated Property
Cp,gas 382.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

Ethyl n-propyl disulfide. Disulfide, dipropyl. 2,2-dimethyl-3,4-dithiaheptane. ISOPROPYL ISOBUTYL DISULPHIDE. n-Propyl sec-butyl disulfide. Disulfide, methyl propyl. Disulfide, butyl (1-methylethyl). Disulfide, ethyl 1-methylpropyl. Disulfide, ethyl 1-methylethyl. 2-methyl-4,5-dithiaoctane. 2,2-dimethyl-4,5-dithiaoctane. Disulfide, bis(1-methylpropyl). 2-(Isopropyldisulfanyl)butane. propyl allyl disulfide. Disulfide, ethyl 2-methylpropyl.

Find more compounds similar to Disulfide, 1-methylethyl propyl.

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.
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.