Chemical Properties of 1,2-bis-[2-(Diisopropylamino)ethylthio] ethane

InChI

InChI=1S/C18H40N2S2/c1-15(2)19(16(3)4)9-11-21-13-14-22-12-10-20(17(5)6)18(7)8/h15-18H,9-14H2,1-8H3

InChI Key

ZZGOPHQDWOJBGM-UHFFFAOYSA-N

Formula

C18H40N2S2

SMILES

CC(C)N(CCSCCSCCN(C(C)C)C(C)C)C(C)C

Molecular Weight¹

348.65

Other Names

• Ethane, 1,2-bis[2-(diisopropylamino)ethyl]

• 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°	42.59	kJ/mol	Joback Calculated Property
logPoct/wat	4.690		Crippen Calculated Property
McVol	317.140	ml/mol	McGowan Calculated Property
Inp	[2310.00; 2338.70]
Inp	2310.00		NIST
Inp	2338.70		NIST
Inp	2310.00		NIST
Inp	2338.70		NIST
Inp	2310.00		NIST
Inp	2310.00		NIST
Tboil	614.09	K	Relay (1.0) Calculated Property
Tfus	248.49	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	[959.90; 1065.00]	J/mol×K	[772.12; 966.25]
Cp,gas	959.90	J/mol×K	772.12	Joback Calculated Property
Cp,gas	980.30	J/mol×K	804.47	Joback Calculated Property
Cp,gas	999.49	J/mol×K	836.83	Joback Calculated Property
Cp,gas	1017.51	J/mol×K	869.18	Joback Calculated Property
Cp,gas	1034.41	J/mol×K	901.54	Joback Calculated Property
Cp,gas	1050.22	J/mol×K	933.89	Joback Calculated Property
Cp,gas	1065.00	J/mol×K	966.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-bis-[2-(Diisopropylamino)ethylthio] ethane.

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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