Chemical Properties of Benzene, 1-methoxy-4-[1,2-bis-(methylthio)propyl], erythro

Benzene, 1-methoxy-4-[1,2-bis-(methylthio)propyl], erythro

InChI
InChI=1S/C12H18OS2/c1-9(14-3)12(15-4)10-5-7-11(13-2)8-6-10/h5-9,12H,1-4H3/t9-,12-/m0/s1
InChI Key
XDYCLYJKOXFBFP-CABZTGNLSA-N
Formula
C12H18OS2
SMILES
COc1ccc(C(SC)C(C)SC)cc1
Molecular Weight1
242.40
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Physical Properties

Property Value Unit Source
ΔfusH° 22.89 kJ/mol Joback Calculated Property
IE 7.83 eV Relay (1.0) Calculated Property
log10WS -2.81 Relay (1.0) Calculated Property
logPoct/wat 3.851 Crippen Calculated Property
McVol 194.750 ml/mol McGowan Calculated Property
Inp 1919.00 NIST
Tboil 587.54 K Relay (1.0) Calculated Property
Tfus 323.59 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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
Cp,gas [486.41; 569.29] J/mol×K [664.92; 908.42] Show Hide
Cp,gas 486.41 J/mol×K 664.92 Joback Calculated Property
Cp,gas 503.19 J/mol×K 705.50 Joback Calculated Property
Cp,gas 518.77 J/mol×K 746.09 Joback Calculated Property
Cp,gas 533.16 J/mol×K 786.67 Joback Calculated Property
Cp,gas 546.37 J/mol×K 827.25 Joback Calculated Property
Cp,gas 558.41 J/mol×K 867.84 Joback Calculated Property
Cp,gas 569.29 J/mol×K 908.42 Joback Calculated Property

Similar Compounds

2H-benzo[a]quinolizine-3-carboxamide,n,n-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-,methyl ester carbonate. Glyceollin I, TMS. Glyceollin II, TMS. 2,6-Methano-1,4(2h)-benzoxazocin-5(6h)-one,4(3h)-cyclohexyl-6-phenyl-. N-Desmethylmirtazapine. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Hydroxy-N-methylcytisine. Moexipril desethyl 3Me (Moexprilate 3Me). Moexipril Me. norbormide. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 5,6-Dihydrouracil riboside, TMS. Zinc octaethylporphyrin chloride. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Benzquinamide M (N-des-Et), acetylated.

Find more compounds similar to Benzene, 1-methoxy-4-[1,2-bis-(methylthio)propyl], erythro.

Sources

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