Chemical Properties of Thiocyanic acid, 2,4-dinitrophenyl ester (CAS 1594-56-5)

InChI

InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H

InChI Key

XQDQRCRASHAZBA-UHFFFAOYSA-N

Formula

C7H3N3O4S

SMILES

N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

Molecular Weight¹

225.18

CAS

1594-56-5

Other Names

• DNRB
• Gryzbol
• Grzybol
• Nirit
• Nirit Supra
• Rhodandinitrobenzol
• Rodatox 60
• RDNB
• 2,4-Dinitrophenyl thiocyanate
• 2,4-Dinitrothiocyanatobenzene
• 2317-W
• Thiocyano-2,4-dinitrobenzene
• DNTB
• Nitrite
• Tri-Rodazene
• Trirodazeen
• 2,4-Dinitro-1-thiocyanobenzene
• 2,4-Dinitrothiocyanobenzene
• 2,4-Dinitrofenylthiokyanat
• 2,4-Dinitro-rhodanbenzol
• NBT
• NBT (pesticide)
• NSC 540
• 2,4-Dinitro-1-thiocyanato-benzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.96; 359.98]	J/mol×K	[870.74; 1167.22]
Cp,gas	337.96	J/mol×K	870.74	Joback Calculated Property
Cp,gas	343.84	J/mol×K	920.15	Joback Calculated Property
Cp,gas	348.79	J/mol×K	969.57	Joback Calculated Property
Cp,gas	352.84	J/mol×K	1018.98	Joback Calculated Property
Cp,gas	356.03	J/mol×K	1068.39	Joback Calculated Property
Cp,gas	358.40	J/mol×K	1117.80	Joback Calculated Property
Cp,gas	359.98	J/mol×K	1167.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thiocyanic acid, 2,4-dinitrophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.