Chemical Properties of 2-Aminothiophenol, N,N,S-trimethyl-

InChI

InChI=1S/C9H13NS/c1-10(2)8-6-4-5-7-9(8)11-3/h4-7H,1-3H3

InChI Key

BMVUVEYWVYKKNB-UHFFFAOYSA-N

Formula

C9H13NS

SMILES

CSc1ccccc1N(C)C

Molecular Weight¹

167.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.87	kJ/mol	Joback Calculated Property
ΔvapH°	64.99	kJ/mol	Relay (1.0) Calculated Property
IE	7.31	eV	Relay (1.0) Calculated Property
logPoct/wat	2.475		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	3261.58	kPa	Joback Calculated Property
Inp	[1393.70; 1393.70]
Inp	1393.70		NIST
Inp	1393.70		NIST
Tboil	531.04	K	Relay (1.0) Calculated Property
Tc	729.83	K	Relay (1.0) Calculated Property
Tfus	267.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[298.54; 374.37]	J/mol×K	[518.20; 746.36]
Cp,gas	298.54	J/mol×K	518.20	Joback Calculated Property
Cp,gas	313.41	J/mol×K	556.23	Joback Calculated Property
Cp,gas	327.35	J/mol×K	594.25	Joback Calculated Property
Cp,gas	340.37	J/mol×K	632.28	Joback Calculated Property
Cp,gas	352.53	J/mol×K	670.30	Joback Calculated Property
Cp,gas	363.85	J/mol×K	708.33	Joback Calculated Property
Cp,gas	374.37	J/mol×K	746.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminothiophenol, N,N,S-trimethyl-.

Sources

• Cheméo Relay (1.0)
• 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.