Chemical Properties of Ethanethiol, 2-(diethylamino)-

InChI

InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3

InChI Key

YBDSNEVSFQMCTL-UHFFFAOYSA-N

Formula

C6H15NS

SMILES

CCN(CC)CCS

Molecular Weight¹

133.26

Other Names

• (dl) 2,5-dimethyltetrahydrofuran
• 2-(Diethylamino)ethyl mercaptan
• 2-(diethylamino)ethane-1-thiol
• 2-(diethylamino)ethanethiol
• Diethyl(2-mercaptoethyl)amine
• Diethylaminoethanethiol
• Diethylcysteamin
• Diethylcysteamine
• N,N-Diethylcysteamine
• N-Diaethyl cysteamin
• NSC 49193
• Triethylamine, 2-mercapto-
• «beta»-Diethylaminoethyl mercaptan

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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_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
ω	0.4088		Relay (1.0) Calculated Property
ΔfG°	139.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.36	kJ/mol	Joback Calculated Property
ΔvapH°	49.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-0.25		Relay (1.0) Calculated Property
logPoct/wat	1.258		Crippen Calculated Property
McVol	121.730	ml/mol	McGowan Calculated Property
Pc	3333.53	kPa	Joback Calculated Property
Inp	[976.00; 979.00]
Inp	976.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	979.00		NIST
Inp	979.00		NIST
Tboil	429.94	K	Relay (1.0) Calculated Property
Tc	623.38	K	Relay (1.0) Calculated Property
Tfus	177.94	K	Relay (1.0) Calculated Property
Vc	0.421	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.28; 301.00]	J/mol×K	[411.98; 598.69]
Cp,gas	233.28	J/mol×K	411.98	Joback Calculated Property
Cp,gas	245.96	J/mol×K	443.10	Joback Calculated Property
Cp,gas	258.06	J/mol×K	474.22	Joback Calculated Property
Cp,gas	269.59	J/mol×K	505.33	Joback Calculated Property
Cp,gas	280.58	J/mol×K	536.45	Joback Calculated Property
Cp,gas	291.05	J/mol×K	567.57	Joback Calculated Property
Cp,gas	301.00	J/mol×K	598.69	Joback Calculated Property
ΔvapH	35.40	kJ/mol	324.00	NIST
Pvap	[0.38; 1.35]	kPa	[275.15; 295.15]
Pvap	0.38	kPa	275.15	Vapor Pressure of 2-Dialkyl Aminoethanethiols
Pvap	0.75	kPa	285.15	Vapor Pressure of 2-Dialkyl Aminoethanethiols
Pvap	1.35	kPa	295.15	Vapor Pressure of 2-Dialkyl Aminoethanethiols

Similar Compounds

Find more compounds similar to Ethanethiol, 2-(diethylamino)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressure of 2-Dialkyl Aminoethanethiols
• Joback Method
• McGowan Method
• NIST Webbook

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