Chemical Properties of Glutaric acid, 4-bromobenzyl isobutyl ester

InChI

InChI=1S/C16H21BrO4/c1-12(2)10-20-15(18)4-3-5-16(19)21-11-13-6-8-14(17)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3

InChI Key

QPESDEWQBMIXOT-UHFFFAOYSA-N

Formula

C16H21BrO4

SMILES

CC(C)COC(=O)CCCC(=O)OCc1ccc(Br)cc1

Molecular Weight¹

357.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-734.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.35	kJ/mol	Joback Calculated Property
ΔvapH°	93.83	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.862		Crippen Calculated Property
McVol	244.920	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[2523.00; 2523.00]
Inp	2523.00		NIST
Inp	2523.00		NIST
Tboil	637.86	K	Relay (1.0) Calculated Property
Tc	827.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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	[678.94; 746.85]	J/mol×K	[779.50; 990.41]
Cp,gas	678.94	J/mol×K	779.50	Joback Calculated Property
Cp,gas	692.98	J/mol×K	814.65	Joback Calculated Property
Cp,gas	705.89	J/mol×K	849.80	Joback Calculated Property
Cp,gas	717.71	J/mol×K	884.95	Joback Calculated Property
Cp,gas	728.46	J/mol×K	920.10	Joback Calculated Property
Cp,gas	738.16	J/mol×K	955.26	Joback Calculated Property
Cp,gas	746.85	J/mol×K	990.41	Joback Calculated Property
η	[0.0000554; 0.0010007]	Pa×s	[438.48; 779.50]
η	0.0010007	Pa×s	438.48	Joback Calculated Property
η	0.0004683	Pa×s	495.32	Joback Calculated Property
η	0.0002563	Pa×s	552.15	Joback Calculated Property
η	0.0001569	Pa×s	608.99	Joback Calculated Property
η	0.0001045	Pa×s	665.83	Joback Calculated Property
η	0.0000742	Pa×s	722.66	Joback Calculated Property
η	0.0000554	Pa×s	779.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-bromobenzyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• 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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