Chemical Properties of Pebulate (CAS 1114-71-2)

Pebulate

InChI
InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
InChI Key
SGEJQUSYQTVSIU-UHFFFAOYSA-N
Formula
C10H21NOS
SMILES
CCCCN(CC)C(=O)SCCC
Molecular Weight1
203.34
CAS
1114-71-2
Other Names
  • Butylethylthiocarbamic acid S-propyl ester
  • Carbamic acid, butylethylthio-, S-propyl ester
  • Carbamothioic acid, N-butyl-N-ethyl-, S-propyl ester
  • Carbamothioic acid, butylethyl-, S-propyl ester
  • PEBC
  • Propyl N-ethyl-N-butylthiocarbamate
  • Propyl ethylbutylthiolcarbamate
  • Propyl-ethylbutylthiocarbamate
  • Propylethyl-n-butylthiocarbamate
  • R-2061
  • S-(n-Propyl)-N-ethyl-N-n-butylthiocarbamate
  • S-Propyl butylethylthiocarbamate
  • S-Propyl-N-aethyl-N-butyl-thiocarbamat
  • S-Propyl-N-butyl-N-ethylthiocarbamate
  • S-Propyl-N-ethyl-N-butylthiocarbamate
  • Stauffer R-2061
  • Tillam
  • Tillam-6-E
  • n-Propyl N-ethyl-N-(n-butyl)thiocarbamate
  • pedulate
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Physical Properties

Property Value Unit Source
ΔfusH° 30.41 kJ/mol Joback Calculated Property
ΔvapH° 66.83 kJ/mol Relay (1.0) Calculated Property
log10WS [-3.53; -3.38]   Show Hide
log10WS -3.38 Aq. Solubility Prediction
log10WS -3.53 Estimated Solubility
logPoct/wat 3.372 Crippen Calculated Property
McVol 179.660 ml/mol McGowan Calculated Property
Inp [1446.00; 1472.00]   Show Hide
Inp 1446.00 NIST
Inp 1472.00 NIST
Tboil 528.34 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [254.56; 588.88] 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 A1.00660e+01
Coefficient B1.04415e+00
Coefficient C-5.73900e-04
Coefficient D1.08560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 254.56 J/mol×K 273.00 Calculated Property
Cp,gas 312.44 J/mol×K 353.78 Calculated Property
Cp,gas 364.34 J/mol×K 434.56 Calculated Property
Cp,gas 410.60 J/mol×K 515.33 Calculated Property
Cp,gas 451.56 J/mol×K 596.11 Calculated Property
Cp,gas 487.56 J/mol×K 676.89 Calculated Property
Cp,gas 518.95 J/mol×K 757.67 Calculated Property
Cp,gas 546.07 J/mol×K 838.44 Calculated Property
Cp,gas 569.26 J/mol×K 919.22 Calculated Property
Cp,gas 588.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

Carbamothioic acid, dipropyl-, S-propyl ester. Carbamothioic acid, N-butyl-N-(2-propynyl), s-ethyl ester. Molinate. Eptam. Carbamothioic acid, cyclohexylethyl-, S-ethyl ester. Carbamodithioic acid, dibutyl-, propyl ester. Carbamothioic acid, bis(2-methylpropyl)-, S-ethyl ester. Carbamodithioic acid, dibutyl-, ethyl ester. S-Butyl-N,N-dipropyldithiocarbamate. 1-Piperidinecarbothioic acid, S-(1-methyl-1-phenylethyl) ester. Carbamodithioic acid, dipropyl-, propyl ester. Carbamodithioic acid, dibutyl-, methyl ester. Prosulfocarb. Esprocarb. N,N-di-n-Butylheptafluorobutyramide.

Find more compounds similar to Pebulate.

Sources

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