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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-124.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.54	kJ/mol	Joback Calculated Property
ΔvapH°	76.75	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.014		Crippen Calculated Property
McVol	210.790	ml/mol	McGowan 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

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.32; 653.58]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.02250e+01
Coefficient B			1.06685e+00
Coefficient C			-5.15400e-04
Coefficient D			6.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.32	J/mol×K	273.00	Calculated Property
Cp,gas	355.89	J/mol×K	353.78	Calculated Property
Cp,gas	411.58	J/mol×K	434.56	Calculated Property
Cp,gas	461.61	J/mol×K	515.33	Calculated Property
Cp,gas	506.15	J/mol×K	596.11	Calculated Property
Cp,gas	545.42	J/mol×K	676.89	Calculated Property
Cp,gas	579.59	J/mol×K	757.67	Calculated Property
Cp,gas	608.88	J/mol×K	838.44	Calculated Property
Cp,gas	633.48	J/mol×K	919.22	Calculated Property
Cp,gas	653.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Diethylaminoethyl isobutyl trisulfide.

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
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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