Chemical Properties of 2-(Diisopropylamino)ethanethiol (CAS 5842-07-9)

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

CAS

5842-07-9

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_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).
• 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_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

Property	Value	Unit	Source
ΔfG°	151.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-113.00	kJ/mol	Joback Calculated Property
ΔfusH°	16.49	kJ/mol	Joback Calculated Property
ΔvapH°	41.41	kJ/mol	Joback Calculated Property
log10WS	-2.04		Crippen Calculated Property
logPoct/wat	2.035		Crippen Calculated Property
McVol	149.910	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback 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	456.86	K	Joback Calculated Property
Tc	648.72	K	Joback Calculated Property
Tfus	218.85	K	Joback Calculated Property
Vc	0.543	m3/kmol	Joback Calculated Property

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 P...
Pvap	0.02	kPa	285.15	Vapor P...
Pvap	0.05	kPa	295.65	Vapor P...

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-(Diisopropylamino)ethanethiol.

Sources

• Crippen Method
• Crippen Method
• Vapor Pressure of 2-Dialkyl Aminoethanethiols
• Joback Method
• McGowan Method
• NIST Webbook

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