Chemical Properties of Glutaric acid, 2-bromobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H27BrO4/c1-4-8-17(14(2)3)24-19(22)12-7-11-18(21)23-13-15-9-5-6-10-16(15)20/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3

InChI Key

GXQZLNLMMRITSC-UHFFFAOYSA-N

Formula

C19H27BrO4

SMILES

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

Molecular Weight¹

399.32

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.59	kJ/mol	Joback Calculated Property
logPoct/wat	5.030		Crippen Calculated Property
McVol	287.190	ml/mol	McGowan Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[399.87; 904.36]	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			2.16560e+01
Coefficient B			1.61086e+00
Coefficient C			-8.62560e-04
Coefficient D			1.34400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	399.87	J/mol×K	273.00	Calculated Property
Cp,gas	489.54	J/mol×K	353.78	Calculated Property
Cp,gas	569.81	J/mol×K	434.56	Calculated Property
Cp,gas	641.11	J/mol×K	515.33	Calculated Property
Cp,gas	703.87	J/mol×K	596.11	Calculated Property
Cp,gas	758.51	J/mol×K	676.89	Calculated Property
Cp,gas	805.45	J/mol×K	757.67	Calculated Property
Cp,gas	845.12	J/mol×K	838.44	Calculated Property
Cp,gas	877.95	J/mol×K	919.22	Calculated Property
Cp,gas	904.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008264; 0.0000559]	Pa×s	[457.29; 740.21]	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			-1.41432e+01
Coefficient B			3.22150e+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.			457.29
Temperature range, max.			740.21
η	0.0008264	Pa×s	457.29	Calculated Property
η	0.0005253	Pa×s	488.73	Calculated Property
η	0.0003527	Pa×s	520.16	Calculated Property
η	0.0002478	Pa×s	551.60	Calculated Property
η	0.0001809	Pa×s	583.03	Calculated Property
η	0.0001363	Pa×s	614.47	Calculated Property
η	0.0001056	Pa×s	645.90	Calculated Property
η	0.0000838	Pa×s	677.34	Calculated Property
η	0.0000679	Pa×s	708.77	Calculated Property
η	0.0000559	Pa×s	740.21	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-bromobenzyl 2-methylhex-3-yl 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.
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