Chemical Properties of Picramic acid (CAS 96-91-3)

Picramic acid

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2
InChI Key
QXYMVUZOGFVPGH-UHFFFAOYSA-N
Formula
C6H5N3O5
SMILES
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
Molecular Weight1
199.12
CAS
96-91-3
Other Names
  • Phenol, 2-amino-4,6-dinitro-
  • 2-Amino-4,6-dinitrophenol
  • Acide picramique
  • C.I. Oxidation Base 21
  • Fourrine 4R
  • Fourrine 93
  • Furro 4R
  • Oxidation Base 21
  • Zoba 4R
  • 2,4-Dinitro-6-aminophenol
  • 4,6-Dinitro-2-aminophenol
  • 6-Amino-2,4-dinitrophenol
  • 1-Amino-2-hydroxy-3,5-dinitrobenzene
  • NSC 36939
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
Δcsolid [-2832.05; -2829.00] kJ/mol Show Hide
Δcsolid -2829.00 kJ/mol NIST
Δcsolid -2832.05 kJ/mol NIST
Δf 75.72 kJ/mol Joback Calculated Property
Δfgas -118.62 kJ/mol Joback Calculated Property
Δfsolid [-246.60; -243.60] kJ/mol Show Hide
Δfsolid -246.60 kJ/mol NIST
Δfsolid -243.60 kJ/mol NIST
Δfus 38.26 kJ/mol Joback Calculated Property
Δvap 89.39 kJ/mol Joback Calculated Property
log10WS -1.95 Crippen Calculated Property
logPoct/wat 0.791 Crippen Calculated Property
McVol 122.330 ml/mol McGowan Calculated Property
Pc 6268.93 kPa Joback Calculated Property
Tboil 830.15 K Joback Calculated Property
Tc 1118.55 K Joback Calculated Property
Tfus 691.04 K Joback Calculated Property
Vc 0.422 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [330.79; 371.80] J/mol×K [830.15; 1118.55] Show Hide
Cp,gas 330.79 J/mol×K 830.15 Joback Calculated Property
Cp,gas 338.03 J/mol×K 878.22 Joback Calculated Property
Cp,gas 344.92 J/mol×K 926.28 Joback Calculated Property
Cp,gas 351.59 J/mol×K 974.35 Joback Calculated Property
Cp,gas 358.20 J/mol×K 1022.41 Joback Calculated Property
Cp,gas 364.89 J/mol×K 1070.48 Joback Calculated Property
Cp,gas 371.80 J/mol×K 1118.55 Joback Calculated Property

Similar Compounds

Picric acid. 2,4,6-Trinitroresorcinol. Phenol, 2,4-dinitro-. Phenol, 2,3,4,6-tetranitro. Phenol, 2,6-dinitro-4-fluoro-. Phenol, 2,6-dinitro-. Picric acid, calcium salt. 1-Naphthalenol, 2,4-dinitro-. Benzenamine, 2-methoxy-5-nitro-. Picric acid, sodium salt. p-Anisidine, 3-nitro-. 3-Methyl-2,4,6-trinitro-phenol. 3,5-Dinitrosalicylaldehyde. Phenol, 2-methyl, 4,6-dinitro-. Phenol, 4-methyl-2,6-dinitro-.

Find more compounds similar to Picramic 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.