Chemical Properties of Propane, 2,2-bis[4-(2,3-dibromopropoxy)-3,5-dibromophenyl-]-

InChI

InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3

InChI Key

LXIZRZRTWSDLKK-UHFFFAOYSA-N

Formula

C21H20Br8O2

SMILES

CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1

Molecular Weight¹

943.62

Other Names

• 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]
• 2,2-bis[3,5-dibromo-4-(2,3-dibromopropyloxy)phenyl]propane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.37; 959.55]	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			9.04740e+01
Coefficient B			1.80084e+00
Coefficient C			-1.30616e-03
Coefficient D			3.74400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.37	J/mol×K	273.00	Calculated Property
Cp,gas	580.67	J/mol×K	353.78	Calculated Property
Cp,gas	657.11	J/mol×K	434.56	Calculated Property
Cp,gas	722.87	J/mol×K	515.33	Calculated Property
Cp,gas	779.14	J/mol×K	596.11	Calculated Property
Cp,gas	827.10	J/mol×K	676.89	Calculated Property
Cp,gas	867.94	J/mol×K	757.67	Calculated Property
Cp,gas	902.84	J/mol×K	838.44	Calculated Property
Cp,gas	932.98	J/mol×K	919.22	Calculated Property
Cp,gas	959.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000118; 0.0000049]	Pa×s	[949.67; 1146.45]	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			-1.64933e+01
Coefficient B			4.88568e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			949.67
Temperature range, max.			1146.45
η	0.0000118	Pa×s	949.67	Calculated Property
η	0.0000105	Pa×s	971.53	Calculated Property
η	0.0000094	Pa×s	993.40	Calculated Property
η	0.0000085	Pa×s	1015.26	Calculated Property
η	0.0000076	Pa×s	1037.13	Calculated Property
η	0.0000069	Pa×s	1058.99	Calculated Property
η	0.0000063	Pa×s	1080.86	Calculated Property
η	0.0000058	Pa×s	1102.72	Calculated Property
η	0.0000053	Pa×s	1124.59	Calculated Property
η	0.0000049	Pa×s	1146.45	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2,2-bis[4-(2,3-dibromopropoxy)-3,5-dibromophenyl-]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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