Chemical Properties of Dl-4-(2-benzoyloxyethyl)-2-phenyl-delta^2-thiazoline (CAS 94004-88-3)

Dl-4-(2-benzoyloxyethyl)-2-phenyl-delta^2-thiazoline

InChI
InChI=1S/C18H17NO2S/c20-18(15-9-5-2-6-10-15)21-12-11-16-13-22-17(19-16)14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChI Key
FNQNEBUSCQXHGX-UHFFFAOYSA-N
Formula
C18H17NO2S
SMILES
O=C(OCCC1CSC(c2ccccc2)=N1)c1ccccc1
Molecular Weight1
311.40
CAS
94004-88-3
Other Names
  • Dl-4-(2-benzoyloxyethyl)-2-phenyl-delta
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Physical Properties

Property Value Unit Source
ω 0.6546 Relay (1.0) Calculated Property
ΔfusH° 38.39 kJ/mol Joback Calculated Property
log10WS -3.91 Relay (1.0) Calculated Property
logPoct/wat 3.796 Crippen Calculated Property
McVol 235.570 ml/mol McGowan Calculated Property
Pc 2304.74 kPa Joback Calculated Property
Tboil 665.52 K Relay (1.0) Calculated Property
Tc 953.74 K Relay (1.0) Calculated Property
Tfus 358.50 K Relay (1.0) Calculated Property
Vc 0.842 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [296.97; 748.95] 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-6.55380e+01
Coefficient B1.56529e+00
Coefficient C-9.14300e-04
Coefficient D1.63500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 296.97 J/mol×K 273.00 Calculated Property
Cp,gas 381.03 J/mol×K 353.78 Calculated Property
Cp,gas 455.43 J/mol×K 434.56 Calculated Property
Cp,gas 520.67 J/mol×K 515.33 Calculated Property
Cp,gas 577.29 J/mol×K 596.11 Calculated Property
Cp,gas 625.78 J/mol×K 676.89 Calculated Property
Cp,gas 666.68 J/mol×K 757.67 Calculated Property
Cp,gas 700.50 J/mol×K 838.44 Calculated Property
Cp,gas 727.75 J/mol×K 919.22 Calculated Property
Cp,gas 748.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dl-4-(2-hydroxyethyl)-2-phenyl-delta2-thiazoline. Tinctorine. Nalmefene, bis(trifluoroacetate). 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. guanosine-2'(3')-monophosphate, TMS. Cytidine, metho-oxime-TMS derivative. Zinc octaethylporphyrin chloride. Sophoramine. Cytidine, buto-oxime-TMS derivative. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. guanosine, TMS. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether.

Find more compounds similar to Dl-4-(2-benzoyloxyethyl)-2-phenyl-delta^2-thiazoline.

Sources

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