Chemical Properties of Bis-(2,4,6-trichloro-3-nitro-5-methyl-benzene) (CAS 6950-45-4)

InChI

InChI=1S/C14H6Cl6N2O4/c1-3-7(15)5(11(19)13(9(3)17)21(23)24)6-8(16)4(2)10(18)14(12(6)20)22(25)26/h1-2H3

InChI Key

RKMYVKBGFHNXFA-UHFFFAOYSA-N

Formula

C14H6Cl6N2O4

SMILES

Cc1c(Cl)c(-c2c(Cl)c(C)c(Cl)c([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1Cl

Molecular Weight¹

478.93

CAS

6950-45-4

• 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).
• 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	[634.07; 641.53]	J/mol×K	[1151.14; 1440.18]
Cp,gas	634.07	J/mol×K	1151.14	Joback Calculated Property
Cp,gas	637.47	J/mol×K	1199.31	Joback Calculated Property
Cp,gas	639.82	J/mol×K	1247.49	Joback Calculated Property
Cp,gas	641.16	J/mol×K	1295.66	Joback Calculated Property
Cp,gas	641.53	J/mol×K	1343.83	Joback Calculated Property
Cp,gas	640.94	J/mol×K	1392.01	Joback Calculated Property
Cp,gas	639.45	J/mol×K	1440.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bis-(2,4,6-trichloro-3-nitro-5-methyl-benzene).

Sources

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

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