Chemical Properties of 2-Chloro-5-nitrobenzyl alcohol, chlorodifluoroacetate

2-Chloro-5-nitrobenzyl alcohol, chlorodifluoroacetate

InChI
InChI=1S/C9H5Cl2F2NO4/c10-7-2-1-6(14(16)17)3-5(7)4-18-8(15)9(11,12)13/h1-3H,4H2
InChI Key
WFHXBRUFNWLXHP-UHFFFAOYSA-N
Formula
C9H5Cl2F2NO4
SMILES
O=C(OCc1cc([N+](=O)[O-])ccc1Cl)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
ΔvapH° 84.06 kJ/mol Relay (1.0) Calculated Property
log10WS -4.37 Relay (1.0) Calculated Property
logPoct/wat 3.123 Crippen Calculated Property
McVol 166.790 ml/mol McGowan Calculated Property
Inp [1732.00; 1732.00]   Show Hide
Inp 1732.00 NIST
Inp 1732.00 NIST
Tboil 556.21 K Relay (1.0) Calculated Property
Tfus 329.51 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [403.20; 441.66] J/mol×K [722.39; 960.51] Show Hide
Cp,gas 403.20 J/mol×K 722.39 Joback Calculated Property
Cp,gas 411.67 J/mol×K 762.08 Joback Calculated Property
Cp,gas 419.25 J/mol×K 801.76 Joback Calculated Property
Cp,gas 425.98 J/mol×K 841.45 Joback Calculated Property
Cp,gas 431.93 J/mol×K 881.14 Joback Calculated Property
Cp,gas 437.14 J/mol×K 920.83 Joback Calculated Property
Cp,gas 441.66 J/mol×K 960.51 Joback Calculated Property

Similar Compounds

Acetic acid, (2-chloro-5-nitrophenyl)methyl ester. Formic acid, (2-chloro-5-nitrophenyl)methyl ester. Benzoic acid, (2-chloro-5-nitrophenyl)methyl ester. 2-Chloro-5-nitrobenzyl alcohol, isopropyl ether. 2-Chloro-5-nitrobenzyl alcohol, n-propyl ether. 2-Chloro-5-nitrobenzyl alcohol, 2-methylpropyl ether. 4-Chloro-3-nitrobenzyl alcohol, chlorodifluoroacetate. 2-Fluoro-5-nitrobenzyl alcohol, chlorodifluoroacetate. 2-Chloro-5-nitrobenzyl alcohol, n-butyl ether. 5-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate. 2-Chloro-5-nitrobenzyl alcohol, 3-methylbutyl ether. 3-Nitrobenzyl alcohol, trifluoroacetate. 2-Chloro-5-nitrobenzyl alcohol, 1-methylpropyl ether. 4-Fluoro-3-nitrobenzyl alcohol, chlorodifluoroacetate. 2-Chloro-5-nitrobenzyl alcohol, n-pentyl ether.

Find more compounds similar to 2-Chloro-5-nitrobenzyl alcohol, chlorodifluoroacetate.

Sources

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