Chemical Properties of N-heptyl sulfide (CAS 629-65-2)

N-heptyl sulfide

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InChI
InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChI Key
LEMIDOZYVQXGLI-UHFFFAOYSA-N
Formula
C14H30S
SMILES
CCCCCCCSCCCCCCC
Molecular Weight1
230.45
CAS
629-65-2
Other Names
  • Diheptyl sulfide
  • Heptyl sulfide
  • di-n-Heptyl sulfide
  • diheptyl sulphide
  • n-Heptyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 100.12 kJ/mol Joback Calculated Property
Δfgas -290.42 kJ/mol Joback Calculated Property
Δfus 36.15 kJ/mol Joback Calculated Property
Δvap 53.58 kJ/mol Joback Calculated Property
logPoct/wat 5.66 Crippen Calculated Property
Pc 1543.92 kPa Joback Calculated Property
Tboil 588.50 K Joback Calculated Property
Tc 763.97 K Joback Calculated Property
Tfus 281.94 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 575.87 J/mol×K 588.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-S- 1
-CH3 2
-CH2- 12

Similar Compounds

5-Thiadodecane. 3-Thiadecane. Thiocane. heptyl propyl sulfide. 6-Thiatridecane. Octane, 1,1'-thiobis-. 4-Thiatridecane. 3-Thiadodecane. Undecyl sulfide. Octane, 1-(propylthio)-. Octane, 1-(butylthio)-. N-Decyl ethyl sulfide. 6-Thiatetradecane. Decyl sulfide. Dodecane, 1,1'-thiobis-.

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