Chemical Properties of 4-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate

4-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate

InChI
InChI=1S/C9H5Cl2F2NO4/c10-6-2-1-5(7(3-6)14(16)17)4-18-8(15)9(11,12)13/h1-3H,4H2
InChI Key
MINOOYMSRYGYRV-UHFFFAOYSA-N
Formula
C9H5Cl2F2NO4
SMILES
O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)Cl
Molecular Weight1
300.04
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Physical Properties

Property Value Unit Source
ΔfusH° 35.20 kJ/mol Joback Calculated Property
logPoct/wat 3.123 Crippen Calculated Property
McVol 166.790 ml/mol McGowan Calculated Property
Inp 1669.00 NIST
Tboil 554.15 K Relay (1.0) Calculated Property
Tfus 304.71 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 [229.51; 445.53] 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 A3.37910e+01
Coefficient B8.68460e-01
Coefficient C-5.92120e-04
Coefficient D1.35400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 229.51 J/mol×K 273.00 Calculated Property
Cp,gas 272.92 J/mol×K 353.78 Calculated Property
Cp,gas 310.48 J/mol×K 434.56 Calculated Property
Cp,gas 342.62 J/mol×K 515.33 Calculated Property
Cp,gas 369.76 J/mol×K 596.11 Calculated Property
Cp,gas 392.34 J/mol×K 676.89 Calculated Property
Cp,gas 410.77 J/mol×K 757.67 Calculated Property
Cp,gas 425.50 J/mol×K 838.44 Calculated Property
Cp,gas 436.94 J/mol×K 919.22 Calculated Property
Cp,gas 445.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, di(4-chloro-2-nitrobenzyl) ester. Succinic acid, 4-chloro-2-nitrobenzyl ethyl ester. 5-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate. Glutaric acid, di(2-nitro-4-chlorobenzyl) ester. 3-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate. Sebacic acid, ethyl 2-nitro-4-chlorobenzyl ester. Succinic acid, 4-chloro-2-nitrobenzyl isobutyl ester. Succinic acid, butyl 4-chloro-2-nitrobenzyl ester. Acetic acid, (5-chloro-2-nitrophenyl)methyl ester. Succinic acid, 4-chloro-2-nitrobenzyl pentyl ester. Succinic acid, 4-chloro-2-nitrobenzyl hexyl ester. Succinic acid, 4-chloro-2-nitrobenzyl nonyl ester. Succinic acid, 4-chloro-2-nitrobenzyl heptyl ester. Succinic acid, 4-chloro-2-nitrobenzyl octyl ester. Succinic acid, 4-chloro-2-nitrobenzyl undecyl ester.

Find more compounds similar to 4-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate.

Sources

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