Chemical Properties of Chlornidine (CAS 26389-78-6)

InChI

InChI=1S/C11H13Cl2N3O4/c1-8-6-9(15(17)18)11(10(7-8)16(19)20)14(4-2-12)5-3-13/h6-7H,2-5H2,1H3

InChI Key

XKUWFOYPQIVFMM-UHFFFAOYSA-N

Formula

C11H13Cl2N3O4

SMILES

Cc1cc([N+](=O)[O-])c(N(CCCl)CCCl)c([N+](=O)[O-])c1

Molecular Weight¹

322.14

CAS

26389-78-6

Other Names

• Benzenamine, N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitro-
• p-Toluidine, N,N-bis(2-chloroethyl)-2,6-dinitro-
• AN 5647
• AN 56477
• Torpedo

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.89; 606.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.79540e+01
Coefficient B			1.12764e+00
Coefficient C			-7.14880e-04
Coefficient D			1.65500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.89	J/mol×K	273.00	Calculated Property
Cp,gas	344.74	J/mol×K	353.78	Calculated Property
Cp,gas	396.56	J/mol×K	434.56	Calculated Property
Cp,gas	441.86	J/mol×K	515.33	Calculated Property
Cp,gas	481.18	J/mol×K	596.11	Calculated Property
Cp,gas	515.03	J/mol×K	676.89	Calculated Property
Cp,gas	543.93	J/mol×K	757.67	Calculated Property
Cp,gas	568.41	J/mol×K	838.44	Calculated Property
Cp,gas	589.00	J/mol×K	919.22	Calculated Property
Cp,gas	606.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Chlornidine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.