Chemical Properties of 4-Dimethylamino-3,5-dinitrobenzoic acid (CAS 53639-29-5)

4-Dimethylamino-3,5-dinitrobenzoic acid

PDF Excel Molecule Calculator
InChI
InChI=1S/C9H9N3O6/c1-10(2)8-6(11(15)16)3-5(9(13)14)4-7(8)12(17)18/h3-4H,1-2H3,(H,13,14)
InChI Key
HPESPZDCCQMDOO-UHFFFAOYSA-N
Formula
C9H9N3O6
SMILES
CN(C)c1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]
Molecular Weight1
255.18
CAS
53639-29-5
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf 24.56 kJ/mol Joback Calculated Property
Δfgas -245.77 kJ/mol Joback Calculated Property
Δfus 43.37 kJ/mol Joback Calculated Property
Δvap 98.54 kJ/mol Joback Calculated Property
log10WS -2.74 Crippen Calculated Property
logPoct/wat 1.267 Crippen Calculated Property
McVol 166.170 ml/mol McGowan Calculated Property
Pc 3815.10 kPa Joback Calculated Property
Tboil 909.11 K Joback Calculated Property
Tc 1151.05 K Joback Calculated Property
Tfus 685.61 K Joback Calculated Property
Vc 0.638 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [478.82; 512.54] J/mol×K [909.11; 1151.05] Show
T(K)
Ideal gas heat capacity (J/mol×K)
480
485
490
495
500
505
510
515
1000
1100
Cp,gas 478.82 J/mol×K 909.11 Joback Calculated Property
Cp,gas 486.08 J/mol×K 949.43 Joback Calculated Property
Cp,gas 492.63 J/mol×K 989.76 Joback Calculated Property
Cp,gas 498.50 J/mol×K 1030.08 Joback Calculated Property
Cp,gas 503.74 J/mol×K 1070.40 Joback Calculated Property
Cp,gas 508.40 J/mol×K 1110.72 Joback Calculated Property
Cp,gas 512.54 J/mol×K 1151.05 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-amino-3-nitro-. Trifluralin. Benfluralin. 3,4-dinitrobenzoic acid. Benzoic acid, 3,4-dinitro-. Chlornidine. Fluchloralin. Profluralin. Isopropalin. Dinitramine. Ethalfluralin. 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-. Butralin. 1-(2,4,6-Trinitrophenyl)piperidine. Piperidine, 1-(2,4-dinitrophenyl)-.

Find more compounds similar to 4-Dimethylamino-3,5-dinitrobenzoic acid.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.