Chemical Properties of S-(2-Methylallyl)-N,N-dimethyldithiocarbamate

InChI

InChI=1S/C9H17NS2/c1-5-10(6-2)9(11)12-7-8(3)4/h3,5-7H2,1-2,4H3

InChI Key

NWZQNOBXSVYLDR-UHFFFAOYSA-N

Formula

C9H17NS2

SMILES

C=C(C)CSC(=S)N(CC)CC

Molecular Weight¹

203.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfusH°	28.23	kJ/mol	Joback Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	2.922		Crippen Calculated Property
McVol	171.750	ml/mol	McGowan Calculated Property
Inp	[1500.00; 1500.00]
Inp	1500.00		NIST
Inp	1500.00		NIST
Tfus	256.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[230.90; 514.38]	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			-6.65700e+00
Coefficient B			1.06444e+00
Coefficient C			-7.74800e-04
Coefficient D			2.31400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.90	J/mol×K	273.00	Calculated Property
Cp,gas	283.19	J/mol×K	353.78	Calculated Property
Cp,gas	328.58	J/mol×K	434.56	Calculated Property
Cp,gas	367.79	J/mol×K	515.33	Calculated Property
Cp,gas	401.56	J/mol×K	596.11	Calculated Property
Cp,gas	430.62	J/mol×K	676.89	Calculated Property
Cp,gas	455.70	J/mol×K	757.67	Calculated Property
Cp,gas	477.53	J/mol×K	838.44	Calculated Property
Cp,gas	496.85	J/mol×K	919.22	Calculated Property
Cp,gas	514.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to S-(2-Methylallyl)-N,N-dimethyldithiocarbamate.

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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