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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[643.22; 730.27]	J/mol×K	[752.93; 963.44]
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

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.