Chemical Properties of Propane, 1,1'-thiobis- (CAS 111-47-7)

Propane, 1,1'-thiobis-

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InChI
InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3
InChI Key
ZERULLAPCVRMCO-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CCCSCCC
Molecular Weight1
118.24
CAS
111-47-7
Other Names
  • (n-C3H7)2S
  • 1,1'-Thiobispropane
  • 4-Thiaheptane
  • Di-n-propyl thioether
  • Dipropyl sulfide
  • Dipropyl sulphide
  • Dipropyl thioether
  • NSC 78429
  • Propane, 1,1'-thiobis-
  • Propyl monosulfide
  • Sulfide, n-propyl-
  • di-n-Propyl sulfide
  • n-Propyl sulfide
Sources

Physical Properties

Property Value Unit Source
PAff 864.70 kJ/mol NIST
BasG 834.90 kJ/mol NIST
Δcliquid -4794.28 ± 0.75 kJ/mol NIST
Δf 32.76 kJ/mol Joback Calculated Property
Δfgas -125.20 kJ/mol NIST
Δfliquid -169.80 ± 0.88 kJ/mol NIST
Δfus 15.43 kJ/mol Joback Calculated Property
Δvap [39.50; 44.70] kJ/mol Show Hide
Δvap 44.23 kJ/mol NIST
Δvap 44.20 kJ/mol NIST
Δvap 44.50 kJ/mol NIST
Δvap Outlier 39.50 kJ/mol NIST
Δvap 44.70 ± 0.80 kJ/mol NIST
Δvap 44.60 kJ/mol NIST
IE [8.30; 10.90] eV Show Hide
IE 8.45 ± 0.05 eV NIST
IE 10.90 eV NIST
IE 8.30 ± 0.02 eV NIST
IE 8.34 eV NIST
IE 8.34 eV NIST
logPoct/wat 2.54 Crippen Calculated Property
Pc 3166.83 kPa Joback Calculated Property
liquid 338.28 J/mol×K NIST
Tboil [412.00; 416.00] K Show Hide
Tboil 415.60 K NIST
Tboil 416.00 K NIST
Tboil 415.85 ± 0.20 K NIST
Tboil 416.00 ± 0.40 K NIST
Tboil 414.70 ± 0.50 K NIST
Tboil 414.65 ± 0.50 K NIST
Tboil 415.60 ± 0.50 K NIST
Tboil 415.00 ± 2.00 K NIST
Tboil Outlier 412.00 ± 2.00 K NIST
Tboil 414.00 ± 0.50 K NIST
Tboil 414.00 ± 0.50 K NIST
Tc 594.29 K Joback Calculated Property
Tfus 191.78 K Joback Calculated Property
Ttriple 170.43 ± 0.05 K NIST
Ttriple 170.44 ± 0.03 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 206.46 J/mol×K 405.46 Joback Calculated Property
Cp,liquid 225.48 J/mol×K 298.15 NIST
Cp,liquid 237.90 J/mol×K 300.0 NIST
ΔfusH 12.13 kJ/mol 170.4 NIST
ΔfusH 12.14 kJ/mol 170.4 NIST
ΔfusH 12.14 kJ/mol 170.44 NIST
ΔvapH 42.90 kJ/mol 362.0 NIST
ΔvapH 40.60 kJ/mol 390.0 NIST
ΔvapH 36.60 kJ/mol 416.0 NIST
ΔfusS 71.24 J/mol×K 170.44 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 4
-CH3 2
-S- 1

Similar Compounds

Sulfide, ethyl propyl. Butane, 1-(ethylthio)-. Di-n-butyl sulfide. Butane, 1-(propylthio)-. Propane, 1-(methylthio)-. 4-Thia-1-hexanethiol. Propane, 1-[(1-methylethyl)thio]-. Diisobutyl sulfide. Propyl 2-methylpropylsulfide. 2,6-dithianonane. 5-Thia-1-heptanethiol. Propane, 1-(ethylthio)-2-methyl-. 3-Thia-1-hexanethiol. Thiophene, tetrahydro-. Butane, 1,4-bis(ethylthio)-.

Find more compounds similar to Propane, 1,1'-thiobis-.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.