Chemical Properties of Carbamothioic chloride, dimethyl- (CAS 16420-13-6)

Carbamothioic chloride, dimethyl-

InChI
InChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3
InChI Key
PHWISQNXPLXQRU-UHFFFAOYSA-N
Formula
C3H6ClNS
SMILES
CN(C)C(=S)Cl
Molecular Weight1
123.60
CAS
16420-13-6
Other Names
  • Carbamoyl chloride, dimethylthio-
  • Dimethylthiocarbamoyl chloride
  • Dimethylthiocarbamyl chloride
  • N,N-Dimethylthiocarbamoyl chloride
  • N,N-Dimethylthiocarbamyl chloride
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Physical Properties

Property Value Unit Source
ΔfH°gas 17.95 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 15.35 kJ/mol Joback Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -2.14 Relay (1.0) Calculated Property
logPoct/wat 1.072 Crippen Calculated Property
McVol 87.400 ml/mol McGowan Calculated Property
Tfus [309.00; 317.00] K Show Hide
Tfus 315.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 317.00 ± 4.00 K NIST
Tfus 316.20 ± 2.00 K NIST
Tfus 316.00 ± 3.00 K NIST
Tfus 313.00 ± 5.00 K NIST
Tfus 316.00 ± 3.00 K NIST
Tfus 311.00 ± 3.00 K NIST
Tfus 315.00 ± 4.00 K NIST
Tfus 315.00 ± 3.00 K NIST
Tfus Outlier 309.00 ± 3.00 K NIST
Tfus 314.00 ± 4.00 K NIST
Tfus 314.00 ± 4.00 K NIST
Tfus 316.20 ± 2.00 K NIST
Tfus 315.00 ± 4.00 K NIST

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 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 [106.17; 215.30] 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-5.23000e+00
Coefficient B5.26930e-01
Coefficient C-4.83800e-04
Coefficient D1.77400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 106.17 J/mol×K 273.00 Calculated Property
Cp,gas 128.49 J/mol×K 353.78 Calculated Property
Cp,gas 146.95 J/mol×K 434.56 Calculated Property
Cp,gas 162.11 J/mol×K 515.33 Calculated Property
Cp,gas 174.54 J/mol×K 596.11 Calculated Property
Cp,gas 184.79 J/mol×K 676.89 Calculated Property
Cp,gas 193.44 J/mol×K 757.67 Calculated Property
Cp,gas 201.03 J/mol×K 838.44 Calculated Property
Cp,gas 208.13 J/mol×K 919.22 Calculated Property
Cp,gas 215.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

N,N-Dimethylthioformamide. Carbamic chloride, dimethyl-. Methylamine, N,N-dimethyl-. CH2N(CH3)2. Thiourea, tetramethyl-. Thiourea, N,N-dimethyl-. Cyanamide, dimethyl-. Ethanethioamide, N,N-dimethyl-. Bis(dimethyldithiocarbamato) copper complex. Formamide, N,N-dimethyl-. Tetramethylthiuram disulfide. Carbamodithioic acid, dimethyl-, methyl ester. Methanamine, N,N-dimethyl-, N-oxide. TETRAMETHYLTHIURAM MONOSULFIDE. Thiourea, trimethyl-.

Find more compounds similar to Carbamothioic chloride, dimethyl-.

Sources

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