Chemical Properties of Thiosulfuric acid, s-2-piperidylmethyl ester (CAS 1822-62-4)

Thiosulfuric acid, s-2-piperidylmethyl ester

InChI
InChI=1S/C6H13NO3S2/c8-12(9,10)11-5-6-3-1-2-4-7-6/h6-7H,1-5H2,(H,8,9,10)
InChI Key
IEMJBVVWJLQAOK-UHFFFAOYSA-N
Formula
C6H13NO3S2
SMILES
O=S(=O)(O)SCC1CCCCN1
Molecular Weight1
211.30
CAS
1822-62-4
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Physical Properties

Property Value Unit Source
ΔfusH° 32.32 kJ/mol Joback Calculated Property
ΔvapH° 104.70 kJ/mol Relay (1.0) Calculated Property
log10WS -0.17 Relay (1.0) Calculated Property
logPoct/wat 0.665 Crippen Calculated Property
McVol 144.830 ml/mol McGowan Calculated Property
Tboil 584.04 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [190.77; 459.66] 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 A6.88100e+00
Coefficient B7.44480e-01
Coefficient C-2.47600e-04
Coefficient D-4.41000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 190.77 J/mol×K 273.00 Calculated Property
Cp,gas 237.32 J/mol×K 353.78 Calculated Property
Cp,gas 280.02 J/mol×K 434.56 Calculated Property
Cp,gas 318.75 J/mol×K 515.33 Calculated Property
Cp,gas 353.35 J/mol×K 596.11 Calculated Property
Cp,gas 383.69 J/mol×K 676.89 Calculated Property
Cp,gas 409.63 J/mol×K 757.67 Calculated Property
Cp,gas 431.03 J/mol×K 838.44 Calculated Property
Cp,gas 447.76 J/mol×K 919.22 Calculated Property
Cp,gas 459.66 J/mol×K 1000.00 Calculated Property

Similar Compounds

Thiosulfuric acid (H2S2O3), S-[2-[(tetrahydro-1,1-dioxido-3-thienyl)amino]ethyl] ester. Lincomycin. Carteolol hydroxy, acetylated. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Biotin, N,N'-(trimethylsilyl)-, trimethylsilyl ester. [7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate. Biotin, N,N'-tert-butyldimethylsilyl-, tert-butyldimethylsilyl ester. 7-(1H-Pyrrol-2-yloxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol. Acetyldihydrocodeine. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Tetrabenazine M (desmethyl-HO-), monoacetylated. Tazettine. inosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate.

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Sources

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