Chemical Properties of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis- (CAS 17669-30-6)

4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-

InChI
InChI=1S/C13H13NO5/c1-17-12(15)9-10(8-6-4-3-5-7-8)14-19-11(9)13(16)18-2/h3-7,9,11H,1-2H3/t9-,11+/m1/s1
InChI Key
RZUSIVILFUXVKH-KOLCDFICSA-N
Formula
C13H13NO5
SMILES
COC(=O)C1ON=C(c2ccccc2)C1C(=O)OC
Molecular Weight1
263.25
CAS
17669-30-6
Other Names
  • 2-Isoxazoline-4,5-dicarboxylic acid, 3-phenyl-, dimethyl ester, cis-
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Physical Properties

Property Value Unit Source
ΔcH°solid -6109.00 kJ/mol NIST
ΔfH°solid -864.80 kJ/mol NIST
ΔfusH° 41.16 kJ/mol Joback Calculated Property
logPoct/wat 0.752 Crippen Calculated Property
McVol 185.840 ml/mol McGowan Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [259.58; 617.48] 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-2.40000e-01
Coefficient B1.07052e+00
Coefficient C-4.28500e-04
Coefficient D-2.43000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 259.58 J/mol×K 273.00 Calculated Property
Cp,gas 323.78 J/mol×K 353.78 Calculated Property
Cp,gas 382.05 J/mol×K 434.56 Calculated Property
Cp,gas 434.31 J/mol×K 515.33 Calculated Property
Cp,gas 480.49 J/mol×K 596.11 Calculated Property
Cp,gas 520.52 J/mol×K 676.89 Calculated Property
Cp,gas 554.30 J/mol×K 757.67 Calculated Property
Cp,gas 581.78 J/mol×K 838.44 Calculated Property
Cp,gas 602.86 J/mol×K 919.22 Calculated Property
Cp,gas 617.48 J/mol×K 1000.00 Calculated Property

Similar Compounds

(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. norbormide. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Ni-TETMP complex. (Z)-Cnidimine. (E)-Cnidimine. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, butylboronate. Dihydromorphine , di(trimehylsilyl) ether. d3-morphine, di-TMS. [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»)-. Methysergide. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Hydromorphone, trimethylsilyl ether.

Find more compounds similar to 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, dimethyl ester, cis-.

Sources

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