Chemical Properties of Benzene, (dichloromethyl)- (CAS 98-87-3)

InChI

InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H

InChI Key

CAHQGWAXKLQREW-UHFFFAOYSA-N

Formula

C7H6Cl2

SMILES

ClC(Cl)c1ccccc1

Molecular Weight¹

161.03

CAS

98-87-3

Other Names

• (Dichloromethyl)benzene
• Benzal chloride
• Benzyl dichloride
• Benzylene chloride
• Benzylidene chloride
• Benzylidene dichloride
• Chlorobenzal
• Chlorure de benzylidene
• Dichlorophenylmethane
• NSC 7915
• Rcra waste number U017
• Toluene, «alpha»,«alpha»-dichloro-
• UN 1886
• alpha,alpha-Dichlorotoluene
• «alpha»,«alpha»-DichlorotoIuene
• «alpha»,«alpha»-Dichlorotoluene
• «alpha»,«alpha»-Dichlortoluene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.2915		Relay (1.0) Calculated Property
ΔfG°	94.17	kJ/mol	Joback Calculated Property
ΔfH°gas	14.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
ΔvapH°	56.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-2.87		Relay (1.0) Calculated Property
logPoct/wat	3.163		Crippen Calculated Property
McVol	110.210	ml/mol	McGowan Calculated Property
Pc	3786.98	kPa	Joback Calculated Property
Inp	[1106.00; 1108.20]
Inp	1108.20		NIST
Inp	1107.00		NIST
Inp	1106.00		NIST
I	[1672.00; 1690.00]
I	1672.00		NIST
I	1690.00		NIST
I	1672.00		NIST
I	1672.00		NIST
Tboil	450.30 ± 0.15	K	NIST
Tc	708.24	K	Relay (1.0) Calculated Property
Tfus	256.20 ± 0.50	K	NIST
Vc	0.393	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.22; 279.02]	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			-1.32800e+01
Coefficient B			6.09400e-01
Coefficient C			-4.32200e-04
Coefficient D			1.15100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.22	J/mol×K	273.00	Calculated Property
Cp,gas	153.32	J/mol×K	353.78	Calculated Property
Cp,gas	179.37	J/mol×K	434.56	Calculated Property
Cp,gas	201.74	J/mol×K	515.33	Calculated Property
Cp,gas	220.79	J/mol×K	596.11	Calculated Property
Cp,gas	236.89	J/mol×K	676.89	Calculated Property
Cp,gas	250.40	J/mol×K	757.67	Calculated Property
Cp,gas	261.68	J/mol×K	838.44	Calculated Property
Cp,gas	271.10	J/mol×K	919.22	Calculated Property
Cp,gas	279.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031525; 0.0002465]	Pa×s	[256.20; 485.22]	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			-1.11594e+01
Coefficient B			1.38344e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			256.20
Temperature range, max.			485.22
η	0.0031525	Pa×s	256.20	Calculated Property
η	0.0019354	Pa×s	281.65	Calculated Property
η	0.0012883	Pa×s	307.09	Calculated Property
η	0.0009126	Pa×s	332.54	Calculated Property
η	0.0006790	Pa×s	357.99	Calculated Property
η	0.0005254	Pa×s	383.43	Calculated Property
η	0.0004197	Pa×s	408.88	Calculated Property
η	0.0003443	Pa×s	434.32	Calculated Property
η	0.0002886	Pa×s	459.77	Calculated Property
η	0.0002465	Pa×s	485.22	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[351.93; 471.94]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.87285e+01
Coefficient B			-5.91063e+03
Coefficient C			-3.14080e+01
Temperature range, min.			351.93
Temperature range, max.			471.94
Pvap	1.33	kPa	351.93	Calculated Property
Pvap	2.79	kPa	365.26	Calculated Property
Pvap	5.50	kPa	378.60	Calculated Property
Pvap	10.32	kPa	391.93	Calculated Property
Pvap	18.52	kPa	405.27	Calculated Property
Pvap	31.92	kPa	418.60	Calculated Property
Pvap	53.06	kPa	431.94	Calculated Property
Pvap	85.36	kPa	445.27	Calculated Property
Pvap	133.31	kPa	458.61	Calculated Property
Pvap	202.65	kPa	471.94	Calculated Property
Pvap	[2.74e-03; 3580.04]	kPa	[257.00; 731.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			4.81017e+01
Coefficient B			-7.18848e+03
Coefficient C			-4.71346e+00
Coefficient D			1.86704e-06
Coefficient E			0.00000e+00
Temperature range, min.			257.00
Temperature range, max.			731.00
Pvap	2.74e-03	kPa	257.00	Calculated Property
Pvap	0.14	kPa	309.67	Calculated Property
Pvap	2.08	kPa	362.33	Calculated Property
Pvap	14.70	kPa	415.00	Calculated Property
Pvap	64.19	kPa	467.67	Calculated Property
Pvap	202.73	kPa	520.33	Calculated Property
Pvap	510.17	kPa	573.00	Calculated Property
Pvap	1090.26	kPa	625.67	Calculated Property
Pvap	2066.25	kPa	678.33	Calculated Property
Pvap	3580.04	kPa	731.00	Calculated Property
Pvap	[0.13; 101.11]	kPa	[308.60; 487.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45512e+01
Coefficient B			-4.42943e+03
Coefficient C			-4.11570e+01
Reference			Stull, 1947
Temperature range, min.			308.60
Temperature range, max.			487.00
Pvap	0.13	kPa	308.60	Calculated Property
Pvap	0.42	kPa	328.42	Calculated Property
Pvap	1.14	kPa	348.24	Calculated Property
Pvap	2.72	kPa	368.07	Calculated Property
Pvap	5.91	kPa	387.89	Calculated Property
Pvap	11.79	kPa	407.71	Calculated Property
Pvap	21.91	kPa	427.53	Calculated Property
Pvap	38.34	kPa	447.36	Calculated Property
Pvap	63.69	kPa	467.18	Calculated Property
Pvap	101.11	kPa	487.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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