Chemical Properties of 2-Diisopropylaminoethyl ethyl sulfide (CAS 110501-54-7)

InChI

InChI=1S/C10H23NS/c1-6-12-8-7-11(9(2)3)10(4)5/h9-10H,6-8H2,1-5H3

InChI Key

JQECUITYJBGTCT-UHFFFAOYSA-N

Formula

C10H23NS

SMILES

CCSCCN(C(C)C)C(C)C

Molecular Weight¹

189.36

CAS

110501-54-7

Other Names

• Ethyl 2-diisopropylaminoethyl sulfide

• 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).
• 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).
• 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	0.3878		Relay (1.0) Calculated Property
ΔfG°	172.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	56.70	kJ/mol	Relay (1.0) Calculated Property
IE	7.69	eV	Relay (1.0) Calculated Property
log10WS	-1.20		Relay (1.0) Calculated Property
logPoct/wat	2.858		Crippen Calculated Property
McVol	178.090	ml/mol	McGowan Calculated Property
Pc	2169.38	kPa	Joback Calculated Property
Inp	[1264.00; 1277.60]
Inp	1264.00		NIST
Inp	1277.60		NIST
Inp	1264.00		NIST
Inp	1277.60		NIST
Inp	1264.00		NIST
Inp	1264.00		NIST
Tboil	490.37	K	Relay (1.0) Calculated Property
Tc	664.66	K	Relay (1.0) Calculated Property
Tfus	207.92	K	Relay (1.0) Calculated Property
Vc	0.613	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.02; 502.99]	J/mol×K	[508.54; 696.11]
Cp,gas	411.02	J/mol×K	508.54	Joback Calculated Property
Cp,gas	428.28	J/mol×K	539.80	Joback Calculated Property
Cp,gas	444.74	J/mol×K	571.06	Joback Calculated Property
Cp,gas	460.42	J/mol×K	602.32	Joback Calculated Property
Cp,gas	475.34	J/mol×K	633.59	Joback Calculated Property
Cp,gas	489.53	J/mol×K	664.85	Joback Calculated Property
Cp,gas	502.99	J/mol×K	696.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Diisopropylaminoethyl ethyl sulfide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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