Chemical Properties of 2-Diethylaminoethyl isobutyl sulfide

InChI

InChI=1S/C10H23NS/c1-5-11(6-2)7-8-12-9-10(3)4/h10H,5-9H2,1-4H3

InChI Key

ZBDCZOMEKJDMLI-UHFFFAOYSA-N

Formula

C10H23NS

SMILES

CCN(CC)CCSCC(C)C

Molecular Weight¹

189.36

Other Names

• Isobutyl 2-diethylaminoethyl sulfide

• 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).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-176.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.28	kJ/mol	Joback Calculated Property
ΔvapH°	60.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
logPoct/wat	2.717		Crippen Calculated Property
McVol	178.090	ml/mol	McGowan Calculated Property
Inp	[1292.00; 1297.00]
Inp	1292.00		NIST
Inp	1292.00		NIST
Inp	1292.00		NIST
Inp	1297.00		NIST
Tboil	488.71	K	Relay (1.0) Calculated Property
Tfus	186.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[253.32; 600.40]	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			1.02500e+00
Coefficient B			1.07807e+00
Coefficient C			-5.95800e-04
Coefficient D			1.17100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.32	J/mol×K	273.00	Calculated Property
Cp,gas	313.04	J/mol×K	353.78	Calculated Property
Cp,gas	366.61	J/mol×K	434.56	Calculated Property
Cp,gas	414.39	J/mol×K	515.33	Calculated Property
Cp,gas	456.76	J/mol×K	596.11	Calculated Property
Cp,gas	494.09	J/mol×K	676.89	Calculated Property
Cp,gas	526.75	J/mol×K	757.67	Calculated Property
Cp,gas	555.11	J/mol×K	838.44	Calculated Property
Cp,gas	579.53	J/mol×K	919.22	Calculated Property
Cp,gas	600.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Diethylaminoethyl isobutyl sulfide.

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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