Chemical Properties of Glutaric acid, di(3-bromobenzyl) ester

InChI

InChI=1S/C19H18Br2O4/c20-16-6-1-4-14(10-16)12-24-18(22)8-3-9-19(23)25-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-11H,3,8-9,12-13H2

InChI Key

UTHIYRFZEOVVEE-UHFFFAOYSA-N

Formula

C19H18Br2O4

SMILES

O=C(CCCC(=O)OCc1cccc(Br)c1)OCc1cccc(Br)c1

Molecular Weight¹

470.16

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.58	kJ/mol	Joback Calculated Property
logPoct/wat	5.169		Crippen Calculated Property
McVol	280.930	ml/mol	McGowan Calculated Property
Inp	[3420.00; 3420.00]
Inp	3420.00		NIST
Inp	3420.00		NIST
Tboil	691.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[359.78; 790.78]	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			1.36050e+01
Coefficient B			1.49880e+00
Coefficient C			-8.91720e-04
Coefficient D			1.70100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.78	J/mol×K	273.00	Calculated Property
Cp,gas	439.77	J/mol×K	353.78	Calculated Property
Cp,gas	510.48	J/mol×K	434.56	Calculated Property
Cp,gas	572.45	J/mol×K	515.33	Calculated Property
Cp,gas	626.22	J/mol×K	596.11	Calculated Property
Cp,gas	672.31	J/mol×K	676.89	Calculated Property
Cp,gas	711.28	J/mol×K	757.67	Calculated Property
Cp,gas	743.66	J/mol×K	838.44	Calculated Property
Cp,gas	769.98	J/mol×K	919.22	Calculated Property
Cp,gas	790.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002757; 0.0000493]	Pa×s	[586.03; 831.71]	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			-1.40199e+01
Coefficient B			3.41280e+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.			586.03
Temperature range, max.			831.71
η	0.0002757	Pa×s	586.03	Calculated Property
η	0.0002127	Pa×s	613.33	Calculated Property
η	0.0001678	Pa×s	640.63	Calculated Property
η	0.0001350	Pa×s	667.92	Calculated Property
η	0.0001104	Pa×s	695.22	Calculated Property
η	0.0000917	Pa×s	722.52	Calculated Property
η	0.0000773	Pa×s	749.82	Calculated Property
η	0.0000658	Pa×s	777.11	Calculated Property
η	0.0000567	Pa×s	804.41	Calculated Property
η	0.0000493	Pa×s	831.71	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(3-bromobenzyl) ester.

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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