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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.37; 617.42]	J/mol×K	[646.74; 864.80]
Cp,gas	531.37	J/mol×K	646.74	Joback Calculated Property
Cp,gas	548.21	J/mol×K	683.08	Joback Calculated Property
Cp,gas	564.04	J/mol×K	719.43	Joback Calculated Property
Cp,gas	578.85	J/mol×K	755.77	Joback Calculated Property
Cp,gas	592.67	J/mol×K	792.11	Joback Calculated Property
Cp,gas	605.52	J/mol×K	828.46	Joback Calculated Property
Cp,gas	617.42	J/mol×K	864.80	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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