Chemical Properties of Benzene, 1,2-bis(chloromethyl)- (CAS 612-12-4)

InChI

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

InChI Key

FMGGHNGKHRCJLL-UHFFFAOYSA-N

Formula

C8H8Cl2

SMILES

ClCc1ccccc1CCl

Molecular Weight¹

175.06

CAS

612-12-4

Other Names

• 1,2-Bis(chloromethyl)benzene
• o-Bis(chloromethyl)benzene
• o-Xylene, «alpha»,«alpha»'-dichloro-
• o-Xylylene dichloride
• «alpha»,«alpha»'-Dichloro-o-xylene
• «alpha»,«alpha»-Dichloro-o-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).
• I_np : Non-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	0.4082		Relay (1.0) Calculated Property
ΔfH°gas	-39.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.52	kJ/mol	Joback Calculated Property
ΔvapH°	61.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-3.60		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
Inp	[1296.00; 1296.00]
Inp	1296.00		NIST
Inp	1296.00		NIST
Tboil	[512.70; 513.00]	K
Tboil	512.70	K	NIST
Tboil	513.00 ± 1.00	K	NIST
Tc	739.57	K	Relay (1.0) Calculated Property
Tfus	[328.00; 330.00]	K
Tfus	328.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	328.00	K	NIST
Tfus	330.00 ± 1.00	K	NIST
Vc	0.441	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Pressure 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	[0.0010886; 0.0002569]	Pa×s	[328.72; 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.			328.72
Temperature range, max.			499.47
η	0.0010886	Pa×s	328.72	Calculated Property
η	0.0008645	Pa×s	347.69	Calculated Property
η	0.0007031	Pa×s	366.66	Calculated Property
η	0.0005836	Pa×s	385.64	Calculated Property
η	0.0004929	Pa×s	404.61	Calculated Property
η	0.0004227	Pa×s	423.58	Calculated Property
η	0.0003673	Pa×s	442.56	Calculated Property
η	0.0003228	Pa×s	461.53	Calculated Property
η	0.0002867	Pa×s	480.50	Calculated Property
η	0.0002569	Pa×s	499.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[377.62; 546.76]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40426e+01
Coefficient B			-4.04334e+03
Coefficient C			-8.36670e+01
Temperature range, min.			377.62
Temperature range, max.			546.76
Pvap	1.33	kPa	377.62	Calculated Property
Pvap	3.05	kPa	396.41	Calculated Property
Pvap	6.34	kPa	415.21	Calculated Property
Pvap	12.20	kPa	434.00	Calculated Property
Pvap	21.95	kPa	452.79	Calculated Property
Pvap	37.32	kPa	471.59	Calculated Property
Pvap	60.41	kPa	490.38	Calculated Property
Pvap	93.71	kPa	509.17	Calculated Property
Pvap	140.07	kPa	527.97	Calculated Property
Pvap	202.65	kPa	546.76	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-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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