Chemical Properties of N-phenyl-n'-p-carbethoxy phenyl thiocarbamide (CAS 1158-23-2)

N-phenyl-n'-p-carbethoxy phenyl thiocarbamide

InChI
InChI=1S/C16H16N2O2S/c1-2-20-15(19)12-8-10-14(11-9-12)18-16(21)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,17,18,21)
InChI Key
FUBMAKIAKSVODK-UHFFFAOYSA-N
Formula
C16H16N2O2S
SMILES
CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1
Molecular Weight1
300.38
CAS
1158-23-2
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Physical Properties

Property Value Unit Source
ω 0.7637 Relay (1.0) Calculated Property
Δfgas -153.51 kJ/mol Relay (1.0) Calculated Property
Δfus 44.06 kJ/mol Joback Calculated Property
Δvap 116.01 kJ/mol Relay (1.0) Calculated Property
IE 7.52 eV Relay (1.0) Calculated Property
log10WS -5.02 Relay (1.0) Calculated Property
logPoct/wat 3.672 Crippen Calculated Property
McVol 228.230 ml/mol McGowan Calculated Property
Pc 2540.49 kPa Joback Calculated Property
Tboil 658.80 K Relay (1.0) Calculated Property
Tc 996.38 K Relay (1.0) Calculated Property
Tfus 430.10 K Relay (1.0) Calculated Property
Vc 0.784 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [642.22; 701.91] J/mol×K [852.62; 1098.79] Show Hide
Cp,gas 642.22 J/mol×K 852.62 Joback Calculated Property
Cp,gas 654.45 J/mol×K 893.65 Joback Calculated Property
Cp,gas 665.62 J/mol×K 934.68 Joback Calculated Property
Cp,gas 675.83 J/mol×K 975.71 Joback Calculated Property
Cp,gas 685.21 J/mol×K 1016.73 Joback Calculated Property
Cp,gas 693.86 J/mol×K 1057.76 Joback Calculated Property
Cp,gas 701.91 J/mol×K 1098.79 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-ethylamino-, ethyl ester. Benzoic acid, p-(2-iodoacetamido)-, ethyl ester. Acetylprocaine. Benzoic acid, p-(2-chloroacetamido)-, ethyl ester. Parbenate. Benzoic acid, 4-isopropylamino-, isopropyl ester. Benzoic acid, 4-propylamino-, propyl ester. Benzoic acid, 4-diethylamino-, ethyl ester. ETHYL P-(BUTYLAMINO)BENZOATE. Benzoic acid, p-[(3-amino-2-oxopropyl)amino]-, ethyl ester, oxime. Propyl p-butylaminobenzoate. ETHYL O-METHYLAMINOBENZOATE. Procaine. farmocaine. benzocaine.

Find more compounds similar to N-phenyl-n'-p-carbethoxy phenyl thiocarbamide.

Sources

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