Chemical Properties of Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl- (CAS 72-56-0)

InChI

InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3

InChI Key

QFMDFTQOJHFVNR-UHFFFAOYSA-N

Formula

C18H20Cl2

SMILES

CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1

Molecular Weight¹

307.26

CAS

72-56-0

Other Names

• 1,1'-(2,2-Dichloroethylidene)bis(4-ethylbenzene)
• 1,1-Bis(p-Ethylphenyl)-2,2-dichloroethane
• 1,1-Dichloro-2,2-bis(4-ethylphenyl)ethane
• 1,1-Dichloro-2,2-bis(p-ethylphenyl)ethane
• 1,1-bis-(4-Ethylphenyl)-2,2-dichloroethane
• 2,2-Bis(p-ethylphenyl)-1,1-dichloroethane
• 2,2-Dichloro-1,1-bis(p-ethylphenyl)ethane
• Di(p-ethylphenyl)dichloroethane
• Diethyl-diphenyl dichloroethane
• ENT-17082
• Ethane, 1,1-dichloro-2,2-bis(p-ethylphenyl)-
• Ethane, 2,2-bis(p-ethylphenyl)-1,1-dichloro-
• Ethylan
• NCI-C02868
• Perthane
• Q 137
• p,p'-Ethyl-ddd
• p,p-Ethyl ddd
• «alpha», «alpha»--Dichloro-2,2-bis(p-ethylphenyl)ethane

• 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_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.
• I_p : 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	0.5771		Relay (1.0) Calculated Property
ΔfG°	277.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-18.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.03	kJ/mol	Joback Calculated Property
ΔvapH°	89.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-7.04		Aq. Solubility Prediction
logPoct/wat	5.747		Crippen Calculated Property
McVol	241.440	ml/mol	McGowan Calculated Property
Pc	1777.34	kPa	Joback Calculated Property
Inp	[2167.00; 2232.00]
Inp	2232.00		NIST
Inp	2175.00		NIST
Inp	2175.00		NIST
Inp	2167.00		NIST
Inp	2175.00		NIST
Inp	2175.00		NIST
Inp	2167.00		NIST
Inp	2175.00		NIST
Inp	2232.00		NIST
Ip	[3016.00; 3016.00]
Ip	3016.00		NIST
Ip	3016.00		NIST
Tboil	630.53	K	Relay (1.0) Calculated Property
Tc	874.23	K	Relay (1.0) Calculated Property
Tfus	[329.15; 333.00]	K
Tfus	329.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	332.17 ± 0.20	K	NIST
Tfus	333.00 ± 0.20	K	NIST
Vc	0.862	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[304.10; 722.45]	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			-3.02680e+01
Coefficient B			1.46244e+00
Coefficient C			-9.30920e-04
Coefficient D			2.21200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.10	J/mol×K	273.00	Calculated Property
Cp,gas	380.39	J/mol×K	353.78	Calculated Property
Cp,gas	447.60	J/mol×K	434.56	Calculated Property
Cp,gas	506.43	J/mol×K	515.33	Calculated Property
Cp,gas	557.56	J/mol×K	596.11	Calculated Property
Cp,gas	601.72	J/mol×K	676.89	Calculated Property
Cp,gas	639.58	J/mol×K	757.67	Calculated Property
Cp,gas	671.86	J/mol×K	838.44	Calculated Property
Cp,gas	699.25	J/mol×K	919.22	Calculated Property
Cp,gas	722.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048557; 0.0001147]	Pa×s	[331.44; 690.31]	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			-1.25323e+01
Coefficient B			2.38792e+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.			331.44
Temperature range, max.			690.31
η	0.0048557	Pa×s	331.44	Calculated Property
η	0.0022400	Pa×s	371.31	Calculated Property
η	0.0012006	Pa×s	411.19	Calculated Property
η	0.0007185	Pa×s	451.06	Calculated Property
η	0.0004674	Pa×s	490.94	Calculated Property
η	0.0003244	Pa×s	530.81	Calculated Property
η	0.0002369	Pa×s	570.68	Calculated Property
η	0.0001802	Pa×s	610.56	Calculated Property
η	0.0001418	Pa×s	650.43	Calculated Property
η	0.0001147	Pa×s	690.31	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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