Chemical Properties of ETOXAZOLE (CAS 153233-91-1)

ETOXAZOLE

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InChI
InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
InChI Key
IXSZQYVWNJNRAL-UHFFFAOYSA-N
Formula
C21H23F2NO2
SMILES
CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1
Molecular Weight1
359.41
CAS
153233-91-1
Other Names
  • Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-
  • 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole
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Physical Properties

Property Value Unit Source
ΔfG° -92.00 kJ/mol Joback Calculated Property
ΔfH°gas -537.02 kJ/mol Joback Calculated Property
ΔfusH° 44.49 kJ/mol Joback Calculated Property
ΔvapH° 80.95 kJ/mol Joback Calculated Property
log10WS -6.02 Crippen Calculated Property
logPoct/wat 5.179 Crippen Calculated Property
McVol 269.330 ml/mol McGowan Calculated Property
Pc 1565.99 kPa Joback Calculated Property
Inp 2489.00 NIST
Tboil 870.96 K Joback Calculated Property
Tc 1106.23 K Joback Calculated Property
Tfus 577.47 K Joback Calculated Property
Vc 1.036 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [862.87; 938.51] J/mol×K [870.96; 1106.23] Show Hide
Cp,gas 862.87 J/mol×K 870.96 Joback Calculated Property
Cp,gas 879.18 J/mol×K 910.17 Joback Calculated Property
Cp,gas 893.92 J/mol×K 949.38 Joback Calculated Property
Cp,gas 907.17 J/mol×K 988.59 Joback Calculated Property
Cp,gas 918.98 J/mol×K 1027.80 Joback Calculated Property
Cp,gas 929.40 J/mol×K 1067.02 Joback Calculated Property
Cp,gas 938.51 J/mol×K 1106.23 Joback Calculated Property

Similar Compounds

Tazettine. Strychnine. Nicocodine. Buprenorphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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Sources

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