Chemical Properties of Benzene,(2,2-dichloroethyl)- (CAS 4412-39-9)

InChI

InChI=1S/C8H8Cl2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,8H,6H2

InChI Key

NGQTUWCDHLILAX-UHFFFAOYSA-N

Formula

C8H8Cl2

SMILES

ClC(Cl)Cc1ccccc1

Molecular Weight¹

175.06

CAS

4412-39-9

• 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	0.3522		Relay (1.0) Calculated Property
ΔfG°	102.59	kJ/mol	Joback Calculated Property
ΔfH°gas	1.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.39	kJ/mol	Joback Calculated Property
ΔvapH°	58.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	NIST
log10WS	-3.21		Relay (1.0) Calculated Property
logPoct/wat	3.033		Crippen Calculated Property
McVol	124.300	ml/mol	McGowan Calculated Property
Pc	3376.28	kPa	Joback Calculated Property
Inp	[1210.00; 1210.00]
Inp	1210.00		NIST
Inp	1210.00		NIST
Tboil	498.50	K	Relay (1.0) Calculated Property
Tc	717.04	K	Relay (1.0) Calculated Property
Tfus	243.87	K	Relay (1.0) Calculated Property
Vc	0.441	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.43; 330.61]	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			-1.41890e+01
Coefficient B			7.04400e-01
Coefficient C			-4.86600e-04
Coefficient D			1.27000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.43	J/mol×K	273.00	Calculated Property
Cp,gas	179.73	J/mol×K	353.78	Calculated Property
Cp,gas	210.44	J/mol×K	434.56	Calculated Property
Cp,gas	236.97	J/mol×K	515.33	Calculated Property
Cp,gas	259.70	J/mol×K	596.11	Calculated Property
Cp,gas	279.05	J/mol×K	676.89	Calculated Property
Cp,gas	295.41	J/mol×K	757.67	Calculated Property
Cp,gas	309.19	J/mol×K	838.44	Calculated Property
Cp,gas	320.79	J/mol×K	919.22	Calculated Property
Cp,gas	330.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045517; 0.0002458]	Pa×s	[251.18; 498.53]	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			-1.12749e+01
Coefficient B			1.47760e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			251.18
Temperature range, max.			498.53
η	0.0045517	Pa×s	251.18	Calculated Property
η	0.0025481	Pa×s	278.66	Calculated Property
η	0.0015830	Pa×s	306.15	Calculated Property
η	0.0010637	Pa×s	333.63	Calculated Property
η	0.0007593	Pa×s	361.11	Calculated Property
η	0.0005685	Pa×s	388.59	Calculated Property
η	0.0004423	Pa×s	416.08	Calculated Property
η	0.0003549	Pa×s	443.56	Calculated Property
η	0.0002922	Pa×s	471.04	Calculated Property
η	0.0002458	Pa×s	498.53	Calculated Property

Similar Compounds

Find more compounds similar to Benzene,(2,2-dichloroethyl)-.

Sources

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

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