Chemical Properties of 2,2,2'-Trichloro-n-butyl propionanilide (CAS 116402-44-9)

2,2,2'-Trichloro-n-butyl propionanilide

InChI
InChI=1S/C13H16Cl3NO/c1-3-4-9-17(12(18)13(2,15)16)11-8-6-5-7-10(11)14/h5-8H,3-4,9H2,1-2H3
InChI Key
FRYHGFZDEVTUQV-UHFFFAOYSA-N
Formula
C13H16Cl3NO
SMILES
CCCCN(C(=O)C(C)(Cl)Cl)c1ccccc1Cl
Molecular Weight1
308.63
CAS
116402-44-9
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Physical Properties

Property Value Unit Source
ΔfusH° 32.87 kJ/mol Joback Calculated Property
logPoct/wat 4.667 Crippen Calculated Property
McVol 218.540 ml/mol McGowan Calculated Property
Tboil 586.71 K Relay (1.0) Calculated Property
Tfus 289.33 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 [281.74; 621.77] 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 A-1.76670e+01
Coefficient B1.34254e+00
Coefficient C-9.74460e-04
Coefficient D2.71360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 281.74 J/mol×K 273.00 Calculated Property
Cp,gas 347.35 J/mol×K 353.78 Calculated Property
Cp,gas 403.99 J/mol×K 434.56 Calculated Property
Cp,gas 452.54 J/mol×K 515.33 Calculated Property
Cp,gas 493.84 J/mol×K 596.11 Calculated Property
Cp,gas 528.77 J/mol×K 676.89 Calculated Property
Cp,gas 558.16 J/mol×K 757.67 Calculated Property
Cp,gas 582.89 J/mol×K 838.44 Calculated Property
Cp,gas 603.81 J/mol×K 919.22 Calculated Property
Cp,gas 621.77 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-butyl-2,2,3-trichloro-n-(2-chlorophenyl)propanamide. Cytosine arabinoside, dimethyl-TMS derivative. Thiazesim. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TFA. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TFA. 5-Methyluridine, tris(trifluoroacetate). Cytosine arabinoside, methyl-TMS derivative. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl. Metopon. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). 3'-acetylindicine.

Find more compounds similar to 2,2,2'-Trichloro-n-butyl propionanilide.

Sources

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