Chemical Properties of 2-Methylbenzene-1,4-diamine, tris(trifluoroacetyl)-, isomer 1

2-Methylbenzene-1,4-diamine, tris(trifluoroacetyl)-, isomer 1

InChI
InChI=1S/C13H7F9N2O3/c1-5-4-6(23-8(25)11(14,15)16)2-3-7(5)24(9(26)12(17,18)19)10(27)13(20,21)22/h2-4H,1H3,(H,23,25)
InChI Key
PLJMMVVKQYYODO-UHFFFAOYSA-N
Formula
C13H7F9N2O3
SMILES
Cc1cc(NC(=O)C(F)(F)F)ccc1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F
Molecular Weight1
410.19
Other Names
  • 2,2-Bis-trifluoroacetamino-5-trifluoroacetamino-toluene
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Physical Properties

Property Value Unit Source
ΔfusH° 41.08 kJ/mol Joback Calculated Property
IE 8.95 eV Relay (1.0) Calculated Property
logPoct/wat 3.480 Crippen Calculated Property
McVol 210.870 ml/mol McGowan Calculated Property
Inp [1399.00; 1399.00]   Show Hide
Inp 1399.00 NIST
Inp 1399.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [617.96; 662.28] J/mol×K [741.64; 924.41] Show Hide
Cp,gas 617.96 J/mol×K 741.64 Joback Calculated Property
Cp,gas 627.01 J/mol×K 772.10 Joback Calculated Property
Cp,gas 635.30 J/mol×K 802.56 Joback Calculated Property
Cp,gas 642.91 J/mol×K 833.02 Joback Calculated Property
Cp,gas 649.89 J/mol×K 863.49 Joback Calculated Property
Cp,gas 656.33 J/mol×K 893.95 Joback Calculated Property
Cp,gas 662.28 J/mol×K 924.41 Joback Calculated Property

Similar Compounds

2-Methylbenzene-1,4-diamine, tris(trifluoroacetyl)-, isomer 2. 2-Methylbenzene-1,4-diamine, tris(pentafluoropropionyl)-, isomer 1. 2-Methylbenzene-1,4-diamine, N1,N1,N4,N4-tetrakis(trifluoroacetyl)--. 2-Methylbenzene-1,4-diamine, tris(pentafluoropropionyl)-, isomer 2. 2-Methylbenzene-1,4-diamine, tris(heptafluorobutyryl)-, isomer 1. 2-Methylbenzene-1,4-diamine, N1,N3,N3-triacetyl-. 2-Methylbenzene-1,4-diamine, N1,N4-bis(pentafluoropropionyl)-. 2-Methylbenzene-1,4-diamine, N1,N1,N4,N4-tetrakis(pentafluoropropionyl)-. 2-Methylbenzene-1,4-diamine, tris(heptafluorobutyryl)-, isomer 2. N-(4-Acetamido-2-methylphenyl)acetamide. Acetamide,N-(2,3-dimethylphenyl)-2,2,2-trifluoro-. Acetamide,N-(2,5-dimethylphenyl)-2,2,2-trifluoro-. 2-Methylbenzene-1,4-diamine, N1,N4-bis(heptafluorobutyryl)-. N,N'-(2-Methyl-1,4-phenylene)bis(N-acetylacetamide). 4-Diethylamino-2-methyl acetanilide.

Find more compounds similar to 2-Methylbenzene-1,4-diamine, tris(trifluoroacetyl)-, isomer 1.

Sources

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