Chemical Properties of Benzene, 1,1'-(chloromethylene)bis- (CAS 90-99-3)

InChI

InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

InChI Key

ZDVDCDLBOLSVGM-UHFFFAOYSA-N

Formula

C13H11Cl

SMILES

ClC(c1ccccc1)c1ccccc1

Molecular Weight¹

202.68

CAS

90-99-3

Other Names

• 1,1'-(Chloromethylene)bis(benzene)
• 1,1'-(Chloromethylene)bisbenzene
• Benzhydryl chloride
• Chlorodiphenylmethane
• Diphenylchloromethane
• Diphenylmethyl chloride
• Methane, chlorodiphenyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase 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.
• 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	0.3641		Relay (1.0) Calculated Property
ΔcH°liquid	-6766.80	kJ/mol	NIST
ΔfG°	269.03	kJ/mol	Joback Calculated Property
ΔfH°gas	127.13	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	56.10	kJ/mol	NIST
ΔfusH°	18.18	kJ/mol	Joback Calculated Property
ΔvapH°	70.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	4.015		Crippen Calculated Property
McVol	158.750	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[1595.70; 1595.70]
Inp	1595.70		NIST
Inp	1595.70		NIST
Tboil	551.86	K	Relay (1.0) Calculated Property
Tc	817.60	K	Relay (1.0) Calculated Property
Tfus	[289.15; 290.15]	K
Tfus	289.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	290.15 ± 0.40	K	NIST
Tfus	290.15 ± 0.40	K	NIST
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[290.40; 295.00]	J/mol×K	[298.50; 310.00]
Cp,liquid	290.40	J/mol×K	298.50	NIST
Cp,liquid	291.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	295.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	70.40	kJ/mol	415.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.84; 461.77]	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			-6.55300e+01
Coefficient B			1.09370e+00
Coefficient C			-7.69400e-04
Coefficient D			2.03000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.84	J/mol×K	273.00	Calculated Property
Cp,gas	234.09	J/mol×K	353.78	Calculated Property
Cp,gas	281.11	J/mol×K	434.56	Calculated Property
Cp,gas	321.54	J/mol×K	515.33	Calculated Property
Cp,gas	356.03	J/mol×K	596.11	Calculated Property
Cp,gas	385.22	J/mol×K	676.89	Calculated Property
Cp,gas	409.74	J/mol×K	757.67	Calculated Property
Cp,gas	430.25	J/mol×K	838.44	Calculated Property
Cp,gas	447.38	J/mol×K	919.22	Calculated Property
Cp,gas	461.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042268; 0.0001767]	Pa×s	[289.82; 589.26]	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			-1.17134e+01
Coefficient B			1.81050e+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.			289.82
Temperature range, max.			589.26
η	0.0042268	Pa×s	289.82	Calculated Property
η	0.0022214	Pa×s	323.09	Calculated Property
η	0.0013165	Pa×s	356.36	Calculated Property
η	0.0008531	Pa×s	389.63	Calculated Property
η	0.0005919	Pa×s	422.90	Calculated Property
η	0.0004331	Pa×s	456.17	Calculated Property
η	0.0003307	Pa×s	489.44	Calculated Property
η	0.0002613	Pa×s	522.72	Calculated Property
η	0.0002124	Pa×s	555.99	Calculated Property
η	0.0001767	Pa×s	589.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[435.78; 630.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65327e+01
Coefficient B			-7.07929e+03
Coefficient C			0.00000e+00
Temperature range, min.			435.78
Temperature range, max.			630.88
Pvap	1.33	kPa	435.78	Calculated Property
Pvap	2.88	kPa	457.46	Calculated Property
Pvap	5.80	kPa	479.14	Calculated Property
Pvap	10.99	kPa	500.81	Calculated Property
Pvap	19.76	kPa	522.49	Calculated Property
Pvap	33.90	kPa	544.17	Calculated Property
Pvap	55.80	kPa	565.85	Calculated Property
Pvap	88.53	kPa	587.52	Calculated Property
Pvap	135.93	kPa	609.20	Calculated Property
Pvap	202.63	kPa	630.88	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(chloromethylene)bis-.

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
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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