Chemical Properties of Benzene, 1,3-bis(chloromethyl)- (CAS 626-16-4)

InChI

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

InChI Key

GRJWOKACBGZOKT-UHFFFAOYSA-N

Formula

C8H8Cl2

SMILES

ClCc1cccc(CCl)c1

Molecular Weight¹

175.06

CAS

626-16-4

Other Names

• 1,3-Bis(chloromethyl)benzene
• m-Bis(chloromethyl)benzene
• m-Dichloroxylene
• m-Xylene, «alpha»,«alpha»'-dichloro-
• m-Xylylene dichloride
• «alpha»,«alpha»'-Dichloro-m-xylene

• ω : Acentric Factor.
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• 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	0.4131		Relay (1.0) Calculated Property
ΔfH°gas	-46.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.52	kJ/mol	Joback Calculated Property
ΔvapH°	61.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	3.164		Crippen Calculated Property
McVol	124.300	ml/mol	McGowan Calculated Property
Pc	3287.81	kPa	Joback Calculated Property
Tboil	[525.70; 527.00]	K
Tboil	525.70	K	NIST
Tboil	527.00	K	NIST
Tc	738.68	K	Relay (1.0) Calculated Property
Tfus	[306.00; 310.00]	K
Tfus	308.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	306.00 ± 1.00	K	NIST
Tfus	310.00 ± 1.00	K	NIST
Vc	0.448	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.30; 327.03]	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			1.79200e+00
Coefficient B			6.39000e-01
Coefficient C			-4.16360e-04
Coefficient D			1.02600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.30	J/mol×K	273.00	Calculated Property
Cp,gas	180.29	J/mol×K	353.78	Calculated Property
Cp,gas	209.27	J/mol×K	434.56	Calculated Property
Cp,gas	234.56	J/mol×K	515.33	Calculated Property
Cp,gas	256.49	J/mol×K	596.11	Calculated Property
Cp,gas	275.38	J/mol×K	676.89	Calculated Property
Cp,gas	291.55	J/mol×K	757.67	Calculated Property
Cp,gas	305.34	J/mol×K	838.44	Calculated Property
Cp,gas	317.05	J/mol×K	919.22	Calculated Property
Cp,gas	327.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014453; 0.0002569]	Pa×s	[308.05; 499.47]	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			-1.10469e+01
Coefficient B			1.38852e+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.			308.05
Temperature range, max.			499.47
η	0.0014453	Pa×s	308.05	Calculated Property
η	0.0010803	Pa×s	329.32	Calculated Property
η	0.0008364	Pa×s	350.59	Calculated Property
η	0.0006669	Pa×s	371.86	Calculated Property
η	0.0005449	Pa×s	393.13	Calculated Property
η	0.0004546	Pa×s	414.40	Calculated Property
η	0.0003860	Pa×s	435.67	Calculated Property
η	0.0003328	Pa×s	456.94	Calculated Property
η	0.0002907	Pa×s	478.20	Calculated Property
η	0.0002569	Pa×s	499.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[387.22; 560.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40071e+01
Coefficient B			-4.11884e+03
Coefficient C			-8.70030e+01
Temperature range, min.			387.22
Temperature range, max.			560.67
Pvap	1.33	kPa	387.22	Calculated Property
Pvap	3.05	kPa	406.49	Calculated Property
Pvap	6.35	kPa	425.76	Calculated Property
Pvap	12.22	kPa	445.04	Calculated Property
Pvap	21.99	kPa	464.31	Calculated Property
Pvap	37.38	kPa	483.58	Calculated Property
Pvap	60.49	kPa	502.85	Calculated Property
Pvap	93.80	kPa	522.13	Calculated Property
Pvap	140.15	kPa	541.40	Calculated Property
Pvap	202.65	kPa	560.67	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-bis(chloromethyl)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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