Chemical Properties of Benzene, 1,1'-(bromomethylene)bis- (CAS 776-74-9)

InChI

InChI=1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

InChI Key

OQROAIRCEOBYJA-UHFFFAOYSA-N

Formula

C13H11Br

SMILES

BrC(c1ccccc1)c1ccccc1

Molecular Weight¹

247.13

CAS

776-74-9

Other Names

• Benzhydryl bromide
• Bromodiphenylmethane
• Diphenylbromomethane
• Diphenylmethyl bromide
• Methane, bromodiphenyl-
• NSC 39226
• UN 1770
• «alpha»-Bromodiphenylmethane

• 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).
• 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).
• 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	0.4353		Relay (1.0) Calculated Property
ΔfG°	295.28	kJ/mol	Joback Calculated Property
ΔfH°gas	206.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.27	kJ/mol	Joback Calculated Property
ΔvapH°	73.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	4.171		Crippen Calculated Property
McVol	164.010	ml/mol	McGowan Calculated Property
Pc	3352.86	kPa	Joback Calculated Property
Inp	1593.00		NIST
Tboil	564.94	K	Relay (1.0) Calculated Property
Tc	826.65	K	Relay (1.0) Calculated Property
Tfus	[314.15; 318.00]	K
Tfus	314.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	318.00	K	NIST
Vc	0.586	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[425.50; 457.20]	K	[0.30; 2.70]
Tboilr	425.70	K	0.30	NIST
Tboilr	425.50 ± 2.50	K	0.30	NIST
Tboilr	457.20	K	2.70	NIST
Tboilr	457.00	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.42; 462.57]	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			-7.02300e+01
Coefficient B			1.12510e+00
Coefficient C			-8.20400e-04
Coefficient D			2.28100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.42	J/mol×K	273.00	Calculated Property
Cp,gas	235.23	J/mol×K	353.78	Calculated Property
Cp,gas	282.48	J/mol×K	434.56	Calculated Property
Cp,gas	322.92	J/mol×K	515.33	Calculated Property
Cp,gas	357.24	J/mol×K	596.11	Calculated Property
Cp,gas	386.19	J/mol×K	676.89	Calculated Property
Cp,gas	410.47	J/mol×K	757.67	Calculated Property
Cp,gas	430.82	J/mol×K	838.44	Calculated Property
Cp,gas	447.94	J/mol×K	919.22	Calculated Property
Cp,gas	462.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035104; 0.0001809]	Pa×s	[316.07; 616.38]	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			-1.17391e+01
Coefficient B			1.92396e+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.			316.07
Temperature range, max.			616.38
η	0.0035104	Pa×s	316.07	Calculated Property
η	0.0019630	Pa×s	349.44	Calculated Property
η	0.0012148	Pa×s	382.81	Calculated Property
η	0.0008119	Pa×s	416.18	Calculated Property
η	0.0005761	Pa×s	449.54	Calculated Property
η	0.0004286	Pa×s	482.91	Calculated Property
η	0.0003313	Pa×s	516.28	Calculated Property
η	0.0002642	Pa×s	549.65	Calculated Property
η	0.0002163	Pa×s	583.01	Calculated Property
η	0.0001809	Pa×s	616.38	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(bromomethylene)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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.