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
• ALPHA,ALPHA-DICHLOROTOLUENE
• 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-
• Toluene, «alpha»,«alpha»-dichloro-
• UN 1886
• «alpha»,«alpha»-DichlorotoIuene
• «alpha»,«alpha»-Dichlorotoluene
• «alpha»,«alpha»-Dichlortoluene
• «alpha»,«alpha»-DichlorotoIuene
• «alpha»,«alpha»-Dichlorotoluene
• «alpha»,«alpha»-Dichlortoluene

• 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).
• 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
ΔfG°	94.17	kJ/mol	Joback Calculated Property
ΔfH°gas	11.96	kJ/mol	Joback Calculated Property
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
ΔvapH°	41.83	kJ/mol	Joback Calculated Property
log10WS	-3.12		Crippen 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	692.87	K	Joback Calculated Property
Tfus	256.20 ± 0.50	K	NIST
Vc	0.411	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.98; 239.75]	J/mol×K	[460.66; 692.87]
Cp,gas	186.98	J/mol×K	460.66	Joback Calculated Property
Cp,gas	197.59	J/mol×K	499.36	Joback Calculated Property
Cp,gas	207.42	J/mol×K	538.06	Joback Calculated Property
Cp,gas	216.51	J/mol×K	576.76	Joback Calculated Property
Cp,gas	224.90	J/mol×K	615.46	Joback Calculated Property
Cp,gas	232.64	J/mol×K	654.16	Joback Calculated Property
Cp,gas	239.75	J/mol×K	692.87	Joback Calculated Property
η	[0.0002869; 0.0045487]	Pa×s	[239.91; 460.66]
η	0.0045487	Pa×s	239.91	Joback Calculated Property
η	0.0021130	Pa×s	276.70	Joback Calculated Property
η	0.0011751	Pa×s	313.49	Joback Calculated Property
η	0.0007392	Pa×s	350.29	Joback Calculated Property
η	0.0005078	Pa×s	387.08	Joback Calculated Property
η	0.0003724	Pa×s	423.87	Joback Calculated Property
η	0.0002869	Pa×s	460.66	Joback Calculated Property
ΔvapH	49.50	kJ/mol	397.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[351.93; 471.94]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.81017e+01
Coefficient B			-7.18848e+03
Coefficient C			-4.71346e+00
Coefficient D			1.86704e-06
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

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.