Chemical Properties of 2-diisopropylamino ethanethiol

InChI

InChI=1S/C8H19NS/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3

InChI Key

IFZVKYXDCOHPOT-UHFFFAOYSA-N

Formula

C8H19NS

SMILES

CC(C)N(CCS)C(C)C

Molecular Weight¹

161.31

Other Names

• 2-(diisopropylamino)ethane-1-thiol
• 2-[bis(1-methylethyl)amino]ethanethiol
• 2-diisopropyl aminoethanethiol
• Ethanethiol, 2-(diisopropylamino)-
• Ethanethiol, 2-[bis(1-methylethyl)amino]-
• USAF A-16784

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.49	kJ/mol	Joback Calculated Property
logPoct/wat	2.035		Crippen Calculated Property
McVol	149.910	ml/mol	McGowan Calculated Property
Inp	[1098.00; 1113.50]
Inp	1098.00		NIST
Inp	1113.40		NIST
Inp	1098.00		NIST
Inp	1113.50		NIST
Inp	1098.00		NIST
Inp	1098.00		NIST
Tboil	461.81	K	Relay (1.0) Calculated Property
Tfus	199.03	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, Ionization energy, 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	[316.54; 399.50]	J/mol×K	[456.86; 648.72]
Cp,gas	316.54	J/mol×K	456.86	Joback Calculated Property
Cp,gas	332.17	J/mol×K	488.84	Joback Calculated Property
Cp,gas	347.04	J/mol×K	520.81	Joback Calculated Property
Cp,gas	361.18	J/mol×K	552.79	Joback Calculated Property
Cp,gas	374.63	J/mol×K	584.77	Joback Calculated Property
Cp,gas	387.39	J/mol×K	616.75	Joback Calculated Property
Cp,gas	399.50	J/mol×K	648.72	Joback Calculated Property
Pvap	[9.28e-03; 0.05]	kPa	[275.15; 295.65]
Pvap	9.28e-03	kPa	275.15	Vapor Pressure of 2-Dialkyl Aminoethanethiols
Pvap	0.02	kPa	285.15	Vapor Pressure of 2-Dialkyl Aminoethanethiols
Pvap	0.05	kPa	295.65	Vapor Pressure of 2-Dialkyl Aminoethanethiols

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-diisopropylamino ethanethiol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Vapor Pressure of 2-Dialkyl Aminoethanethiols
• 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.