Chemical Properties of Benzene, 1,1'-(2-nitropropylidene)bis[4-chloro- (CAS 117-27-1)

InChI

InChI=1S/C15H13Cl2NO2/c1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,15H,1H3

InChI Key

JCWVUDIGEJLVPS-UHFFFAOYSA-N

Formula

C15H13Cl2NO2

SMILES

CC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-]

Molecular Weight¹

310.18

CAS

117-27-1

Other Names

• 1,1'-(2-Nitropropylidene)bis(4-chlorobenzene)
• 1,1-(Di-p-chlorophenyl)-2-nitropropane
• 1,1-Bis(4-chlorophenyl)-2-nitropropane
• 1,1-Bis(p-Chlorophenyl)-2-nitropropane
• 2-Nitro-1,1-bis(p-chlorophenyl)propane
• CS 645A
• DNP
• ENT 22,784
• Prolan
• Prolan (insecticide)
• Propane, 1,1-bis(p-chlorophenyl)-2-nitro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.62	kJ/mol	Joback Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	4.790		Crippen Calculated Property
McVol	216.590	ml/mol	McGowan Calculated Property
Inp	[2250.00; 2250.00]
Inp	2250.00		NIST
Inp	2250.00		NIST
Inp	2250.00		NIST
Tboil	622.73	K	Relay (1.0) Calculated Property
Tfus	355.17 ± 0.20	K	NIST

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.75; 632.10]	J/mol×K	[831.94; 1101.54]
Cp,gas	572.75	J/mol×K	831.94	Joback Calculated Property
Cp,gas	585.36	J/mol×K	876.87	Joback Calculated Property
Cp,gas	596.73	J/mol×K	921.81	Joback Calculated Property
Cp,gas	606.98	J/mol×K	966.74	Joback Calculated Property
Cp,gas	616.22	J/mol×K	1011.67	Joback Calculated Property
Cp,gas	624.56	J/mol×K	1056.61	Joback Calculated Property
Cp,gas	632.10	J/mol×K	1101.54	Joback Calculated Property
ΔfusH	21.39	kJ/mol	354.30	NIST

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(2-nitropropylidene)bis[4-chloro-.

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.
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