Chemical Properties of Glutaric acid, 2-(2-bromophenyl)ethyl 2-methylhex-3-yl ester

InChI

InChI=1S/C20H29BrO4/c1-4-8-18(15(2)3)25-20(23)12-7-11-19(22)24-14-13-16-9-5-6-10-17(16)21/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3

InChI Key

LTIKWGYNXZTVQJ-UHFFFAOYSA-N

Formula

C20H29BrO4

SMILES

CCCC(OC(=O)CCCC(=O)OCCc1ccccc1Br)C(C)C

Molecular Weight¹

413.35

• 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°	48.18	kJ/mol	Joback Calculated Property
logPoct/wat	5.073		Crippen Calculated Property
McVol	301.280	ml/mol	McGowan Calculated Property
Inp	[2676.00; 2676.00]
Inp	2676.00		NIST
Inp	2676.00		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	[421.08; 955.95]	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			2.07470e+01
Coefficient B			1.70586e+00
Coefficient C			-9.16960e-04
Coefficient D			1.46300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.08	J/mol×K	273.00	Calculated Property
Cp,gas	515.95	J/mol×K	353.78	Calculated Property
Cp,gas	600.89	J/mol×K	434.56	Calculated Property
Cp,gas	676.34	J/mol×K	515.33	Calculated Property
Cp,gas	742.78	J/mol×K	596.11	Calculated Property
Cp,gas	800.67	J/mol×K	676.89	Calculated Property
Cp,gas	850.46	J/mol×K	757.67	Calculated Property
Cp,gas	892.63	J/mol×K	838.44	Calculated Property
Cp,gas	927.64	J/mol×K	919.22	Calculated Property
Cp,gas	955.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007235; 0.0000490]	Pa×s	[468.56; 756.14]	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			-1.43077e+01
Coefficient B			3.31566e+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.			468.56
Temperature range, max.			756.14
η	0.0007235	Pa×s	468.56	Calculated Property
η	0.0004605	Pa×s	500.51	Calculated Property
η	0.0003095	Pa×s	532.47	Calculated Property
η	0.0002175	Pa×s	564.42	Calculated Property
η	0.0001588	Pa×s	596.37	Calculated Property
η	0.0001197	Pa×s	628.32	Calculated Property
η	0.0000927	Pa×s	660.28	Calculated Property
η	0.0000735	Pa×s	692.23	Calculated Property
η	0.0000595	Pa×s	724.18	Calculated Property
η	0.0000490	Pa×s	756.14	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(2-bromophenyl)ethyl 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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