Chemical Properties of DPE (CAS 2971-22-4)

InChI

InChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

InChI Key

ZADGQTHIZZOKGE-UHFFFAOYSA-N

Formula

C14H11Cl3

SMILES

ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1

Molecular Weight¹

285.60

CAS

2971-22-4

Other Names

• Benzene, 1,1'-(2,2,2-trichloroethylidene)bis-
• 1,1'-(2,2,2-trichloroethylidene)dibenzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.3796		Relay (1.0) Calculated Property
ΔfG°	256.43	kJ/mol	Joback Calculated Property
ΔfH°gas	98.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.75	kJ/mol	Joback Calculated Property
ΔvapH°	66.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	5.189		Crippen Calculated Property
McVol	197.320	ml/mol	McGowan Calculated Property
Pc	2540.49	kPa	Joback Calculated Property
Inp	[1926.00; 1926.00]
Inp	1926.00		NIST
Inp	1926.00		NIST
Tboil	597.13	K	Relay (1.0) Calculated Property
Tc	852.66	K	Relay (1.0) Calculated Property
Tfus	339.20	K	Relay (1.0) Calculated Property
Vc	0.680	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.40; 531.37]	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			-6.51300e+01
Coefficient B			1.32810e+00
Coefficient C			-1.03640e-03
Coefficient D			3.04800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.40	J/mol×K	273.00	Calculated Property
Cp,gas	288.50	J/mol×K	353.78	Calculated Property
Cp,gas	341.30	J/mol×K	434.56	Calculated Property
Cp,gas	385.76	J/mol×K	515.33	Calculated Property
Cp,gas	422.85	J/mol×K	596.11	Calculated Property
Cp,gas	453.52	J/mol×K	676.89	Calculated Property
Cp,gas	478.74	J/mol×K	757.67	Calculated Property
Cp,gas	499.48	J/mol×K	838.44	Calculated Property
Cp,gas	516.71	J/mol×K	919.22	Calculated Property
Cp,gas	531.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022381; 0.0001286]	Pa×s	[377.56; 666.54]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.26914e+01
Coefficient B			2.48784e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			377.56
Temperature range, max.			666.54
η	0.0022381	Pa×s	377.56	Calculated Property
η	0.0013353	Pa×s	409.67	Calculated Property
η	0.0008588	Pa×s	441.78	Calculated Property
η	0.0005864	Pa×s	473.89	Calculated Property
η	0.0004202	Pa×s	506.00	Calculated Property
η	0.0003134	Pa×s	538.11	Calculated Property
η	0.0002416	Pa×s	570.22	Calculated Property
η	0.0001914	Pa×s	602.33	Calculated Property
η	0.0001553	Pa×s	634.43	Calculated Property
η	0.0001286	Pa×s	666.54	Calculated Property

Similar Compounds

Find more compounds similar to DPE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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