Chemical Properties of Bis(2-diisopropylaminoethyl) sulfide (CAS 110501-56-9)

InChI

InChI=1S/C16H36N2S/c1-13(2)17(14(3)4)9-11-19-12-10-18(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3

InChI Key

VRSFIFVYZVUBLG-UHFFFAOYSA-N

Formula

C16H36N2S

SMILES

CC(C)N(CCSCCN(C(C)C)C(C)C)C(C)C

Molecular Weight¹

288.54

CAS

110501-56-9

Other Names

• Sulfane, bis(2-diisopropylaminoethyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.28	kJ/mol	Joback Calculated Property
logPoct/wat	3.957		Crippen Calculated Property
McVol	272.610	ml/mol	McGowan Calculated Property
Inp	[1820.00; 1836.10]
Inp	1820.00		NIST
Inp	1836.10		NIST
Inp	1820.00		NIST
Inp	1836.10		NIST
Inp	1820.00		NIST
Tboil	563.92	K	Relay (1.0) Calculated Property
Tfus	237.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[768.93; 878.99]	J/mol×K	[657.58; 839.40]
Cp,gas	768.93	J/mol×K	657.58	Joback Calculated Property
Cp,gas	789.82	J/mol×K	687.88	Joback Calculated Property
Cp,gas	809.64	J/mol×K	718.19	Joback Calculated Property
Cp,gas	828.43	J/mol×K	748.49	Joback Calculated Property
Cp,gas	846.23	J/mol×K	778.80	Joback Calculated Property
Cp,gas	863.07	J/mol×K	809.10	Joback Calculated Property
Cp,gas	878.99	J/mol×K	839.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bis(2-diisopropylaminoethyl) 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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