Chemical Properties of Butyl methylaminodithiocarbamate

InChI

InChI=1S/C6H13NS2/c1-3-4-5-9-6(8)7-2/h3-5H2,1-2H3,(H,7,8)

InChI Key

XSVAFMVYJMBMRO-UHFFFAOYSA-N

Formula

C6H13NS2

SMILES

CCCCSC(=S)NC

Molecular Weight¹

163.30

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.13	kJ/mol	Joback Calculated Property
ΔvapH°	81.63	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.024		Crippen Calculated Property
McVol	133.780	ml/mol	McGowan Calculated Property
Inp	[1595.00; 1618.00]
Inp	1600.00		NIST
Inp	1609.00		NIST
Inp	Outlier 1618.00		NIST
Inp	1595.00		NIST
Inp	1600.00		NIST
Inp	1605.00		NIST
Inp	1600.00		NIST
Inp	1605.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.88; 340.18]	J/mol×K	[525.87; 744.66]
Cp,gas	280.88	J/mol×K	525.87	Joback Calculated Property
Cp,gas	292.42	J/mol×K	562.34	Joback Calculated Property
Cp,gas	303.23	J/mol×K	598.80	Joback Calculated Property
Cp,gas	313.37	J/mol×K	635.27	Joback Calculated Property
Cp,gas	322.88	J/mol×K	671.73	Joback Calculated Property
Cp,gas	331.80	J/mol×K	708.20	Joback Calculated Property
Cp,gas	340.18	J/mol×K	744.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl methylaminodithiocarbamate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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