Chemical Properties of 2,2,3-Trichloro-n-(4-chloro-2-nitrophenyl)propanamide (CAS 116402-47-2)

2,2,3-Trichloro-n-(4-chloro-2-nitrophenyl)propanamide

InChI
InChI=1S/C9H6Cl4N2O3/c10-4-9(12,13)8(16)14-6-2-1-5(11)3-7(6)15(17)18/h1-3H,4H2,(H,14,16)
InChI Key
UNKOKYAXAPLGTA-UHFFFAOYSA-N
Formula
C9H6Cl4N2O3
SMILES
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)CCl
Molecular Weight1
331.97
CAS
116402-47-2
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Physical Properties

Property Value Unit Source
ΔfusH° 39.76 kJ/mol Joback Calculated Property
logPoct/wat 3.599 Crippen Calculated Property
McVol 191.840 ml/mol McGowan Calculated Property
Tboil 608.14 K Relay (1.0) Calculated Property
Tfus 396.72 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, Log10 of Water solubility in mol/l 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 [240.69; 465.73] 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 A2.81310e+01
Coefficient B9.61460e-01
Coefficient C-7.24620e-04
Coefficient D2.00760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 240.69 J/mol×K 273.00 Calculated Property
Cp,gas 286.47 J/mol×K 353.78 Calculated Property
Cp,gas 325.58 J/mol×K 434.56 Calculated Property
Cp,gas 358.64 J/mol×K 515.33 Calculated Property
Cp,gas 386.30 J/mol×K 596.11 Calculated Property
Cp,gas 409.19 J/mol×K 676.89 Calculated Property
Cp,gas 427.94 J/mol×K 757.67 Calculated Property
Cp,gas 443.19 J/mol×K 838.44 Calculated Property
Cp,gas 455.58 J/mol×K 919.22 Calculated Property
Cp,gas 465.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

Thymidine, 3',5'-bis(O-TBDMSi). 5'-O-(tert-butyldimethylsilyl)-thymidine. Thymidine, 3'-O-TFA, 5'-O-TBDMS. naringin. «delta»1-tetrahydrocannabinolic acid, TMS. Thymidine, 3'-O-TMS, 5'-O-TBDMS. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. Thymidine, 3'-O-TBDMS, 5'-O-TMS. Metergoline. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. (-)-Bunolol methoxime, PFB-TMS. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). Silane, (1,1-dimethylethyl)dimethyl[(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)-. Iprindole.

Find more compounds similar to 2,2,3-Trichloro-n-(4-chloro-2-nitrophenyl)propanamide.

Sources

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