Chemical Properties of Benzene, 1-chloro-3-(dichloromethyl)- (CAS 15145-69-4)

InChI

InChI=1S/C7H5Cl3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H

InChI Key

ACNQJGLSENYFQJ-UHFFFAOYSA-N

Formula

C7H5Cl3

SMILES

Clc1cccc(C(Cl)Cl)c1

Molecular Weight¹

195.47

CAS

15145-69-4

Other Names

• 1-Chloro-3-(dichloromethyl)benzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-15.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.61	kJ/mol	Joback Calculated Property
ΔvapH°	61.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	3.816		Crippen Calculated Property
McVol	122.450	ml/mol	McGowan Calculated Property
Inp	[1366.00; 1366.00]
Inp	1366.00		NIST
Inp	1366.00		NIST
Tboil	496.07	K	Relay (1.0) Calculated Property
Tfus	272.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.17; 284.25]	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			1.39100e+01
Coefficient B			5.56700e-01
Coefficient C			-3.85560e-04
Coefficient D			9.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.17	J/mol×K	273.00	Calculated Property
Cp,gas	166.99	J/mol×K	353.78	Calculated Property
Cp,gas	191.16	J/mol×K	434.56	Calculated Property
Cp,gas	211.98	J/mol×K	515.33	Calculated Property
Cp,gas	229.77	J/mol×K	596.11	Calculated Property
Cp,gas	244.84	J/mol×K	676.89	Calculated Property
Cp,gas	257.52	J/mol×K	757.67	Calculated Property
Cp,gas	268.10	J/mol×K	838.44	Calculated Property
Cp,gas	276.90	J/mol×K	919.22	Calculated Property
Cp,gas	284.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029071; 0.0002551]	Pa×s	[282.35; 519.96]	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			-1.11656e+01
Coefficient B			1.50350e+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.			282.35
Temperature range, max.			519.96
η	0.0029071	Pa×s	282.35	Calculated Property
η	0.0018438	Pa×s	308.75	Calculated Property
η	0.0012563	Pa×s	335.15	Calculated Property
η	0.0009054	Pa×s	361.55	Calculated Property
η	0.0006822	Pa×s	387.96	Calculated Property
η	0.0005330	Pa×s	414.36	Calculated Property
η	0.0004289	Pa×s	440.76	Calculated Property
η	0.0003537	Pa×s	467.16	Calculated Property
η	0.0002977	Pa×s	493.56	Calculated Property
η	0.0002551	Pa×s	519.96	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-3-(dichloromethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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