Chemical Properties of Glutaric acid, di(2-bromobenzyl) ester

InChI

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

InChI Key

ADYRJBVUGPIARD-UHFFFAOYSA-N

Formula

C19H18Br2O4

SMILES

O=C(CCCC(=O)OCc1ccccc1Br)OCc1ccccc1Br

Molecular Weight¹

470.15

• 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).
• T_fus : Normal melting (fusion) point (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	[3132.00; 3132.00]
Inp	3132.00		NIST
Inp	3132.00		NIST
Tboil	697.70	K	Relay (1.0) Calculated Property
Tfus	355.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.57; 820.87]	J/mol×K	[946.40; 1188.16]
Cp,gas	777.57	J/mol×K	946.40	Joback Calculated Property
Cp,gas	787.71	J/mol×K	986.69	Joback Calculated Property
Cp,gas	796.60	J/mol×K	1026.99	Joback Calculated Property
Cp,gas	804.29	J/mol×K	1067.28	Joback Calculated Property
Cp,gas	810.86	J/mol×K	1107.57	Joback Calculated Property
Cp,gas	816.36	J/mol×K	1147.86	Joback Calculated Property
Cp,gas	820.87	J/mol×K	1188.16	Joback Calculated Property
η	[0.0000300; 0.0002757]	Pa×s	[586.03; 946.40]
η	0.0002757	Pa×s	586.03	Joback Calculated Property
η	0.0001604	Pa×s	646.09	Joback Calculated Property
η	0.0001024	Pa×s	706.15	Joback Calculated Property
η	0.0000701	Pa×s	766.21	Joback Calculated Property
η	0.0000507	Pa×s	826.28	Joback Calculated Property
η	0.0000383	Pa×s	886.34	Joback Calculated Property
η	0.0000300	Pa×s	946.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-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

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.
These property values are available through the Cheméo API. A free account gives you an access key.