Chemical Properties of 2-Diethylaminoethyl isobutyl trisulfide

InChI

InChI=1S/C10H23NS3/c1-5-11(6-2)7-8-12-14-13-9-10(3)4/h10H,5-9H2,1-4H3

InChI Key

FKYPKOFUKOPYPJ-UHFFFAOYSA-N

Formula

C10H23NS3

SMILES

CCN(CC)CCSSSCC(C)C

Molecular Weight¹

253.49

Other Names

• Isobutyl 2-diethylaminoethyl trisulfide

• 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	0.4682		Relay (1.0) Calculated Property
ΔfG°	241.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-124.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.54	kJ/mol	Joback Calculated Property
ΔvapH°	74.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	4.014		Crippen Calculated Property
McVol	210.790	ml/mol	McGowan Calculated Property
Pc	2222.89	kPa	Joback Calculated Property
Inp	[1736.00; 1740.00]
Inp	1740.00		NIST
Inp	1740.00		NIST
Inp	1736.00		NIST
Inp	1740.00		NIST
Inp	1736.00		NIST
Inp	1740.00		NIST
Tboil	580.73	K	Relay (1.0) Calculated Property
Tc	751.53	K	Relay (1.0) Calculated Property
Tfus	226.66	K	Relay (1.0) Calculated Property
Vc	0.724	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.27; 617.33]	J/mol×K	[646.54; 864.53]
Cp,gas	531.27	J/mol×K	646.54	Joback Calculated Property
Cp,gas	548.12	J/mol×K	682.87	Joback Calculated Property
Cp,gas	563.94	J/mol×K	719.20	Joback Calculated Property
Cp,gas	578.76	J/mol×K	755.54	Joback Calculated Property
Cp,gas	592.58	J/mol×K	791.87	Joback Calculated Property
Cp,gas	605.43	J/mol×K	828.20	Joback Calculated Property
Cp,gas	617.33	J/mol×K	864.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Diethylaminoethyl isobutyl trisulfide.

Sources

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

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