Chemical Properties of Di(isobutyl)dithiocarbamic acid

Di(isobutyl)dithiocarbamic acid

InChI
InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChI Key
CBQPQMSTIARRSA-UHFFFAOYSA-N
Formula
C9H19NS2
SMILES
CC(C)CN(CC(C)C)C(=S)S
Molecular Weight1
205.39
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Physical Properties

Property Value Unit Source
ΔfH°gas -67.60 ± 2.40 kJ/mol NIST
ΔfusH° 23.69 kJ/mol Joback Calculated Property
logPoct/wat 2.815 Crippen Calculated Property
McVol 176.050 ml/mol McGowan Calculated Property

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

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [240.21; 543.02] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.20480e+01
Coefficient B1.12927e+00
Coefficient C-8.18600e-04
Coefficient D2.44400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 240.21 J/mol×K 273.00 Calculated Property
Cp,gas 295.83 J/mol×K 353.78 Calculated Property
Cp,gas 344.15 J/mol×K 434.56 Calculated Property
Cp,gas 385.96 J/mol×K 515.33 Calculated Property
Cp,gas 422.00 J/mol×K 596.11 Calculated Property
Cp,gas 453.07 J/mol×K 676.89 Calculated Property
Cp,gas 479.94 J/mol×K 757.67 Calculated Property
Cp,gas 503.37 J/mol×K 838.44 Calculated Property
Cp,gas 524.14 J/mol×K 919.22 Calculated Property
Cp,gas 543.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

Nickel, bis[bis(2-methylpropyl)carbamodithioato-S,S']-, (SP-4-1)-. Dipropyldithiocarbamic acid. Zinc(II) bis(N,N-diisobutyldithiocarbamate). Zink diisobutyldithiocarbamate. Zinc(II) bis(N,N-dipropyldithiocarbamate). Carbamodithioic acid, dibutyl-, methyl ester. Carbamodithioic acid, dipropyl-, propyl ester. 1-Propanamine, 2-methyl-N,N-bis(2-methylpropyl)-. Nickel(II) bis(N,N-dipropyldithiocarbamate). Nickel, bis(dipentylcarbamodithioato-S,S')-, (SP-4-1)-. Propanamine, 2-methyl, N,N-dipropyl. Carbamothioic acid, bis(2-methylpropyl)-, S-ethyl ester. Zink dipropyldithiocarbamate. Zinc, bis(dipentylcarbamodithioato-S,S')-, (T-4)-. 1-Propanamine, 2-methyl, N,N-diethyl.

Find more compounds similar to Di(isobutyl)dithiocarbamic acid.

Sources

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