Chemical Properties of Benzothiopyran, 4h-1-, 4-(3-(2-chloroethyl )ureido)-2,3-dl-hydro- (CAS 27047-62-7)

Benzothiopyran, 4h-1-, 4-(3-(2-chloroethyl )ureido)-2,3-dl-hydro-

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InChI
InChI=1S/C12H15ClN2OS/c13-6-7-14-12(16)15-10-5-8-17-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H2,14,15,16)
InChI Key
FPMGZVWNTSTEOW-UHFFFAOYSA-N
Formula
C12H15ClN2OS
SMILES
O=C(NCCCl)NC1CCSc2ccccc21
Molecular Weight1
270.78
CAS
27047-62-7
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Physical Properties

Property Value Unit Source
Δf 279.38 kJ/mol Joback Calculated Property
Δfgas 24.57 kJ/mol Joback Calculated Property
Δfus 36.17 kJ/mol Joback Calculated Property
Δvap 75.14 kJ/mol Joback Calculated Property
log10WS -3.91 Crippen Calculated Property
logPoct/wat 2.762 Crippen Calculated Property
McVol 195.440 ml/mol McGowan Calculated Property
Pc 2912.39 kPa Joback Calculated Property
Tboil 756.10 K Joback Calculated Property
Tc 996.98 K Joback Calculated Property
Tfus 546.98 K Joback Calculated Property
Vc 0.720 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [528.09; 595.11] J/mol×K [756.10; 996.98] Show
T(K)
Ideal gas heat capacity (J/mol×K)
530
540
550
560
570
580
590
600
800
900
1000
Cp,gas 528.09 J/mol×K 756.10 Joback Calculated Property
Cp,gas 541.64 J/mol×K 796.25 Joback Calculated Property
Cp,gas 554.11 J/mol×K 836.39 Joback Calculated Property
Cp,gas 565.61 J/mol×K 876.54 Joback Calculated Property
Cp,gas 576.22 J/mol×K 916.69 Joback Calculated Property
Cp,gas 586.02 J/mol×K 956.84 Joback Calculated Property
Cp,gas 595.11 J/mol×K 996.98 Joback Calculated Property

Similar Compounds

Oxycodone TMS derivative. Oxymorphone. Naloxone, bis(trimethylsilyl) ether. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxymorphone, bis(trimethylsilyl) ether. Oxycodone. Naltrexone. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. Retroisosensine. Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-, (5«alpha»)-. Oxycodone, trimethylsilyl ether. Retroisosenine. Naloxone. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Benzquinamide M (O-des-Et), acetylated.

Find more compounds similar to Benzothiopyran, 4h-1-, 4-(3-(2-chloroethyl )ureido)-2,3-dl-hydro-.

Sources

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