Chemical Properties of 2-Thiatricyclo[3.3.1.1(3,7)]decane (CAS 281-25-4)

2-Thiatricyclo[3.3.1.1(3,7)]decane

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InChI
InChI=1S/C9H14S/c1-6-2-8-4-7(1)5-9(3-6)10-8/h6-9H,1-5H2
InChI Key
NOBCRSKNBOQNEL-UHFFFAOYSA-N
Formula
C9H14S
SMILES
C1C2CC3CC1CC(C2)S3
Molecular Weight1
154.27
CAS
281-25-4
Other Names
  • 2-Thiaadamantane
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6000.86 ± 0.96 kJ/mol NIST
Δf 227.20 kJ/mol Joback Calculated Property
Δfgas 8.07 kJ/mol Joback Calculated Property
Δfsolid -143.50 ± 1.10 kJ/mol NIST
Δfus 16.10 kJ/mol Joback Calculated Property
Δvap 41.04 kJ/mol Joback Calculated Property
logPoct/wat 2.68 Crippen Calculated Property
Pc 3435.91 kPa Joback Calculated Property
Tboil 472.97 K Joback Calculated Property
Tc 704.84 K Joback Calculated Property
Tfus 597.00 ± 3.00 K NIST
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 279.72 J/mol×K 472.97 Joback Calculated Property
Cp,solid 213.00 J/mol×K 298.15 NIST
ΔfusH 8.10 kJ/mol 597.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 4
-S- (ring) 1
-CH2- (ring) 5

Similar Compounds

4-methyl-2-thiaadamantane. 4,8-dimethyl-2-thiaadamantane. 4,8-diethyl-2-thiaadamantane. 4,8-dibutyl-2-thiaadamantane. 4,8-dipropyl-2-thiaadamantane. 2H-1-Benzothiopyran, octahydro-2-methyl-. trans-2,4-Dimethylthiane. cis-2,4-Dimethylthiane. 4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane. 2-Isobutyl-thiolane. 2-Methyl-5-tridecylthiolane (cis + trans). 5-Dodecyl-5-ethylthiophene. Thiane, 2-butyl. Dicyclohexylsulphide. Thiolane, 2-butyl-5-methyl.

Find more compounds similar to 2-Thiatricyclo[3.3.1.1(3,7)]decane.

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