Chemical Properties of 1,1-bis-(4-Methylphenyl)-2,2-dichloroethylene

InChI

InChI=1S/C16H14Cl2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChI Key

MSUWJPYRBHVMHQ-UHFFFAOYSA-N

Formula

C16H14Cl2

SMILES

Cc1ccc(C(=C(Cl)Cl)c2ccc(C)cc2)cc1

Molecular Weight¹

277.19

• 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_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	0.5261		Relay (1.0) Calculated Property
ΔfG°	328.66	kJ/mol	Joback Calculated Property
ΔfH°gas	151.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.48	kJ/mol	Joback Calculated Property
ΔvapH°	77.25	kJ/mol	Relay (1.0) Calculated Property
IE	7.76	eV	Relay (1.0) Calculated Property
log10WS	-6.24		Relay (1.0) Calculated Property
logPoct/wat	5.498		Crippen Calculated Property
McVol	208.960	ml/mol	McGowan Calculated Property
Pc	2195.89	kPa	Joback Calculated Property
Inp	[1974.00; 1974.00]
Inp	1974.00		NIST
Inp	1974.00		NIST
Tboil	617.79	K	Relay (1.0) Calculated Property
Tc	855.17	K	Relay (1.0) Calculated Property
Tfus	328.19	K	Relay (1.0) Calculated Property
Vc	0.743	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.60; 587.07]	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			-3.86500e+01
Coefficient B			1.28044e+00
Coefficient C			-9.04120e-04
Coefficient D			2.49400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.60	J/mol×K	273.00	Calculated Property
Cp,gas	312.23	J/mol×K	353.78	Calculated Property
Cp,gas	367.51	J/mol×K	434.56	Calculated Property
Cp,gas	415.23	J/mol×K	515.33	Calculated Property
Cp,gas	456.19	J/mol×K	596.11	Calculated Property
Cp,gas	491.17	J/mol×K	676.89	Calculated Property
Cp,gas	520.95	J/mol×K	757.67	Calculated Property
Cp,gas	546.34	J/mol×K	838.44	Calculated Property
Cp,gas	568.12	J/mol×K	919.22	Calculated Property
Cp,gas	587.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-bis-(4-Methylphenyl)-2,2-dichloroethylene.

Sources

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

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