Chemical Properties of (Z)-3-(p-Chlorophenylamino)-2-nitrocrotonic methyl ester (CAS 116343-84-1)

(Z)-3-(p-Chlorophenylamino)-2-nitrocrotonic methyl ester

InChI
InChI=1S/C11H11ClN2O4/c1-7(10(14(16)17)11(15)18-2)13-9-5-3-8(12)4-6-9/h3-6,13H,1-2H3/b10-7-
InChI Key
BNXNUQUDLCHRTM-YFHOEESVSA-N
Formula
C11H11ClN2O4
SMILES
COC(=O)C(=C(C)Nc1ccc(Cl)cc1)[N+](=O)[O-]
Molecular Weight1
270.67
CAS
116343-84-1
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Physical Properties

Property Value Unit Source
ΔfusH° 40.51 kJ/mol Joback Calculated Property
IE 7.68 eV Relay (1.0) Calculated Property
log10WS -4.32 Relay (1.0) Calculated Property
logPoct/wat 2.433 Crippen Calculated Property
McVol 184.870 ml/mol McGowan Calculated Property
Tfus 387.27 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [243.53; 533.64] 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 A2.30000e+00
Coefficient B1.05780e+00
Coefficient C-6.79960e-04
Coefficient D1.53500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 243.53 J/mol×K 273.00 Calculated Property
Cp,gas 298.22 J/mol×K 353.78 Calculated Property
Cp,gas 346.17 J/mol×K 434.56 Calculated Property
Cp,gas 387.85 J/mol×K 515.33 Calculated Property
Cp,gas 423.76 J/mol×K 596.11 Calculated Property
Cp,gas 454.38 J/mol×K 676.89 Calculated Property
Cp,gas 480.19 J/mol×K 757.67 Calculated Property
Cp,gas 501.68 J/mol×K 838.44 Calculated Property
Cp,gas 519.33 J/mol×K 919.22 Calculated Property
Cp,gas 533.64 J/mol×K 1000.00 Calculated Property

Similar Compounds

(Z)-3-(p-Methylphenylamino)-2-nitrocrotonic acid methyl ester. (Z)-3-(o-Bromophenylamino)-2-nitrocrotonic acid methyl ester. (Z)-3-(o-Methylphenylamino)-2-nitrocrotonic acid methyl ester. 1-Phenylcarbamoyl-2,3-phthaloylpyrrocoline. oxazolam, acetylated. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. uridine, TMS. Uridine, 3'-O-TBDMS. Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. 5-Hydroxyuracil riboside, TMS. «alpha»-Pseudouridine, TMS. Benazepril desethyl 3Me (Benazeprilate 3Me). RTI 23. Nomifensine M(HO), diacetylated, isomer # 1.

Find more compounds similar to (Z)-3-(p-Chlorophenylamino)-2-nitrocrotonic methyl ester.

Sources

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