Chemical Properties of Isopropyl 2-diisopropylaminoethyl sulfide

InChI

InChI=1S/C11H25NS/c1-9(2)12(10(3)4)7-8-13-11(5)6/h9-11H,7-8H2,1-6H3

InChI Key

ATHRUUFDAYVGPI-UHFFFAOYSA-N

Formula

C11H25NS

SMILES

CC(C)SCCN(C(C)C)C(C)C

Molecular Weight¹

203.39

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.83	kJ/mol	Joback Calculated Property
ΔvapH°	59.85	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.247		Crippen Calculated Property
McVol	192.180	ml/mol	McGowan Calculated Property
Inp	[1321.00; 1321.00]
Inp	1321.00		NIST
Inp	1321.00		NIST
Tboil	493.54	K	Relay (1.0) Calculated Property
Tfus	215.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.90; 653.06]	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			-3.24800e+00
Coefficient B			1.18491e+00
Coefficient C			-6.56600e-04
Coefficient D			1.28000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.90	J/mol×K	273.00	Calculated Property
Cp,gas	339.44	J/mol×K	353.78	Calculated Property
Cp,gas	398.17	J/mol×K	434.56	Calculated Property
Cp,gas	450.52	J/mol×K	515.33	Calculated Property
Cp,gas	496.88	J/mol×K	596.11	Calculated Property
Cp,gas	537.66	J/mol×K	676.89	Calculated Property
Cp,gas	573.26	J/mol×K	757.67	Calculated Property
Cp,gas	604.10	J/mol×K	838.44	Calculated Property
Cp,gas	630.56	J/mol×K	919.22	Calculated Property
Cp,gas	653.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl 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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