Chemical Properties of S-tert-Butyl-N,N-diethyldithiocarbamate

InChI

InChI=1S/C9H19NS2/c1-6-10(7-2)8(11)12-9(3,4)5/h6-7H2,1-5H3

InChI Key

QKUPZECCOOWFNO-UHFFFAOYSA-N

Formula

C9H19NS2

SMILES

CCN(CC)C(=S)SC(C)(C)C

Molecular Weight¹

205.38

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-118.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.41	kJ/mol	Joback Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	3.145		Crippen Calculated Property
McVol	176.050	ml/mol	McGowan Calculated Property
Inp	[1499.00; 1499.00]
Inp	1499.00		NIST
Inp	1499.00		NIST
Tfus	282.82	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[407.32; 487.30]	J/mol×K	[553.35; 771.20]
Cp,gas	407.32	J/mol×K	553.35	Joback Calculated Property
Cp,gas	423.14	J/mol×K	589.66	Joback Calculated Property
Cp,gas	437.86	J/mol×K	625.97	Joback Calculated Property
Cp,gas	451.55	J/mol×K	662.27	Joback Calculated Property
Cp,gas	464.30	J/mol×K	698.58	Joback Calculated Property
Cp,gas	476.19	J/mol×K	734.89	Joback Calculated Property
Cp,gas	487.30	J/mol×K	771.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to S-tert-Butyl-N,N-diethyldithiocarbamate.

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.