Chemical Properties of 2-Chloro-5-nitrobenzyl alcohol, 2-methylbutyl ether

2-Chloro-5-nitrobenzyl alcohol, 2-methylbutyl ether

InChI
InChI=1S/C12H16ClNO3/c1-3-9(2)7-17-8-10-6-11(14(15)16)4-5-12(10)13/h4-6,9H,3,7-8H2,1-2H3
InChI Key
HLYZIMWNYHDKCP-UHFFFAOYSA-N
Formula
C12H16ClNO3
SMILES
CCC(C)COCc1cc([N+](=O)[O-])ccc1Cl
Molecular Weight1
257.72
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Physical Properties

Property Value Unit Source
ΔfusH° 33.32 kJ/mol Joback Calculated Property
ΔvapH° 85.88 kJ/mol Relay (1.0) Calculated Property
log10WS -4.53 Relay (1.0) Calculated Property
logPoct/wat 3.811 Crippen Calculated Property
McVol 191.710 ml/mol McGowan Calculated Property
Inp [1888.00; 1888.00]   Show Hide
Inp 1888.00 NIST
Inp 1888.00 NIST
Tboil 592.33 K Relay (1.0) Calculated Property
Tfus 281.18 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [263.56; 587.35] 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 A2.88730e+01
Coefficient B9.94800e-01
Coefficient C-5.17120e-04
Coefficient D8.08000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 263.56 J/mol×K 273.00 Calculated Property
Cp,gas 319.67 J/mol×K 353.78 Calculated Property
Cp,gas 370.15 J/mol×K 434.56 Calculated Property
Cp,gas 415.25 J/mol×K 515.33 Calculated Property
Cp,gas 455.24 J/mol×K 596.11 Calculated Property
Cp,gas 490.37 J/mol×K 676.89 Calculated Property
Cp,gas 520.89 J/mol×K 757.67 Calculated Property
Cp,gas 547.05 J/mol×K 838.44 Calculated Property
Cp,gas 569.12 J/mol×K 919.22 Calculated Property
Cp,gas 587.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Chloro-5-nitrobenzyl alcohol, 3-methylbutyl ether. 2-Chloro-5-nitrobenzyl alcohol, n-butyl ether. 2-Chloro-5-nitrobenzyl alcohol, n-pentyl ether. 2-Chloro-5-nitrobenzyl alcohol, 2-methylpropyl ether. 2-Chloro-5-nitrobenzyl alcohol, n-propyl ether. 2-Chloro-5-nitrobenzyl alcohol, 1-methylpropyl ether. 2,5-Dichlorobenzyl alcohol, 2-methylbutyl ether. (3-Nitrophenyl) methanol, 3-methylbutyl ether. 2,4-Dichlorobenzyl alcohol, 2-methylbutyl ether. 2,3-Dichlorobenzyl alcohol, 2-methylbutyl ether. nevirapine. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Glutaric acid, 2-ethylhexyl 3-nitrobenzyl ester. Thymidine, 3',5'-bis(O-TMTBSi). Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl.

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

Sources

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