Chemical Properties of Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-3,4-bis-(methylthio)

Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-3,4-bis-(methylthio)

InChI
InChI=1S/C12H22S2/c1-11(2)8-6-10(13-4)12(3,14-5)7-9(8)11/h8-10H,6-7H2,1-5H3/t8?,9?,10-,12+/m1/s1
InChI Key
GHHXTHWFXOUDSH-ILDFIYDHSA-N
Formula
C12H22S2
SMILES
CS[C@@H]1CC2C(C[C@]1(C)SC)C2(C)C
Molecular Weight1
230.44
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Physical Properties

Property Value Unit Source
ΔfusH° 19.88 kJ/mol Joback Calculated Property
logPoct/wat 3.906 Crippen Calculated Property
McVol 190.920 ml/mol McGowan Calculated Property
Inp [1764.00; 1764.00]   Show Hide
Inp 1764.00 NIST
Inp 1764.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [248.22; 687.49] 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 A-1.56590e+02
Coefficient B1.92918e+00
Coefficient C-1.84160e-03
Coefficient D7.56500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 248.22 J/mol×K 273.00 Calculated Property
Cp,gas 328.92 J/mol×K 353.78 Calculated Property
Cp,gas 396.06 J/mol×K 434.56 Calculated Property
Cp,gas 452.04 J/mol×K 515.33 Calculated Property
Cp,gas 499.25 J/mol×K 596.11 Calculated Property
Cp,gas 540.09 J/mol×K 676.89 Calculated Property
Cp,gas 576.93 J/mol×K 757.67 Calculated Property
Cp,gas 612.19 J/mol×K 838.44 Calculated Property
Cp,gas 648.24 J/mol×K 919.22 Calculated Property
Cp,gas 687.49 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclohexane, 1-methyl-4-(1-methylethyl)-1,2-bis-(methylthio). Bicyclo[3.1.1]heptane, 2,6,6-trimethyl, 2,3-bis-(methylthio). Bicyclo[3.3.1]heptane, 6,6-dimethyl-2,7-bis-(methylthio). 2-Heptanone, 6-methyl-5,6-bis-(methylthio). Cyclohexane, trans-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio). Cyclohexane, cis-1-methyl-4-(1-methylethyl), 2,3-bis-(methylthio). Cyclohexene, 1-methyl-4-[1-methyl-1,2-bis-(methylthio)ethyl]. 3-Amino-1-propanol, ferrocenylboronate. Glyceofuran, TMS. amikacin. Poligodial + Phe (methyl ester) adduct, (R). Poligodial + Phe (methyl ester) adduct, (S). 1,3,5(10)-Oestratriene-3,17.beta.-diol, 3-TBDMS-17-HFB. Fluspirilene. guanosine, TMS.

Find more compounds similar to Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-3,4-bis-(methylthio).

Sources

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