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

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

• ω : Acentric Factor.
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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

Property	Value	Unit	Source
ω	0.5694		Relay (1.0) Calculated Property
ΔfG°	287.79	kJ/mol	Joback Calculated Property
ΔfH°gas	3.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.62	kJ/mol	Joback Calculated Property
ΔvapH°	103.49	kJ/mol	Relay (1.0) 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
Pc	2329.27	kPa	Joback 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
Tc	921.71	K	Relay (1.0) Calculated Property
Tfus	355.17 ± 0.20	K	NIST
Vc	0.719	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.69; 632.06]	J/mol×K	[831.74; 1101.27]
Cp,gas	572.69	J/mol×K	831.74	Joback Calculated Property
Cp,gas	585.30	J/mol×K	876.66	Joback Calculated Property
Cp,gas	596.68	J/mol×K	921.58	Joback Calculated Property
Cp,gas	606.93	J/mol×K	966.51	Joback Calculated Property
Cp,gas	616.17	J/mol×K	1011.43	Joback Calculated Property
Cp,gas	624.51	J/mol×K	1056.35	Joback Calculated Property
Cp,gas	632.06	J/mol×K	1101.27	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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