Chemical Properties of Ethanethiol, 2-(1-adamantyl)amino-, hydrogen sulfate (CAS 37018-31-8)

Ethanethiol, 2-(1-adamantyl)amino-, hydrogen sulfate

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InChI
InChI=1S/C12H21NO3S2/c14-18(15,16)17-2-1-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2,(H,14,15,16)
InChI Key
YXDYLGVKBVJRMA-UHFFFAOYSA-N
Formula
C12H21NO3S2
SMILES
O=S(=O)(O)SCCNC12CC3CC(CC(C3)C1)C2
Molecular Weight1
291.43
CAS
37018-31-8
Other Names
  • 2-(1-Adamantyl)aminoethanethiol hydrogen sulfate
  • S-2-[1-Adamantylamino]ethyl thiosulfuric acid
  • 2-(Adamantylamino)ethanethiol, S-hydrogen sulfate
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Physical Properties

Property Value Unit Source
Δf -275.74 kJ/mol Joback Calculated Property
Δfgas -594.11 kJ/mol Joback Calculated Property
Δfus 38.61 kJ/mol Joback Calculated Property
Δvap 89.32 kJ/mol Joback Calculated Property
log10WS -3.13 Crippen Calculated Property
logPoct/wat 2.081 Crippen Calculated Property
McVol 207.650 ml/mol McGowan Calculated Property
Pc 3602.88 kPa Joback Calculated Property
Tboil 752.93 K Joback Calculated Property
Tc 963.44 K Joback Calculated Property
Tfus 481.40 K Joback Calculated Property
Vc 0.801 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [643.22; 730.27] J/mol×K [752.93; 963.44] Show Hide
Cp,gas 643.22 J/mol×K 752.93 Joback Calculated Property
Cp,gas 658.92 J/mol×K 788.02 Joback Calculated Property
Cp,gas 673.94 J/mol×K 823.10 Joback Calculated Property
Cp,gas 688.42 J/mol×K 858.19 Joback Calculated Property
Cp,gas 702.54 J/mol×K 893.27 Joback Calculated Property
Cp,gas 716.44 J/mol×K 928.36 Joback Calculated Property
Cp,gas 730.27 J/mol×K 963.44 Joback Calculated Property

Similar Compounds

Ethylthiosulfuric acid, 2-[(1,7,7-trimethylbicyclo[2.2.1.]hept-2-yl)-amino]-. Thiosulfuric acid, s-2-piperidylmethyl ester. Decahydroquinoline, 4a-methyl. 3Alpha,5alpha-cycloandrostane, 6beta-acetamido-17beta-acetoxy-. 1-Azaspiro(4.5)decane. Finasteride. (-)-Jasmonic acid, - (S)-Phe conjugate, methyl ester. Piperidine, 2-(2,2-dicyclohexylethyl)-. 5Beta-androstan-12-one,17beta-acetamido-3alpha-hydroxy-,acetate. Cineroctine. 13-(2-Methylbutyryl)oxylupanine. 13-(2-Methylbutanoyloxy)lupanine. 6,7-Dehydrohyoscyamine. 3-Tropoyloxy-6-acetoxytropane. Tomatidine.

Find more compounds similar to Ethanethiol, 2-(1-adamantyl)amino-, hydrogen sulfate.

Sources

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