Chemical Properties of Glutaric acid, 4-bromophenyl isobutyl ester

InChI

InChI=1S/C15H19BrO4/c1-11(2)10-19-14(17)4-3-5-15(18)20-13-8-6-12(16)7-9-13/h6-9,11H,3-5,10H2,1-2H3

InChI Key

OBRMEIMAXWPUID-UHFFFAOYSA-N

Formula

C15H19BrO4

SMILES

CC(C)COC(=O)CCCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

343.21

• 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).
• IE : Ionization energy (eV).
• 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	-731.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.76	kJ/mol	Joback Calculated Property
ΔvapH°	89.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
logPoct/wat	3.724		Crippen Calculated Property
McVol	230.830	ml/mol	McGowan Calculated Property
Pc	1966.56	kPa	Joback Calculated Property
Inp	[2267.00; 2267.00]
Inp	2267.00		NIST
Inp	2267.00		NIST
Tboil	630.76	K	Relay (1.0) Calculated Property
Tc	823.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[624.21; 690.97]	J/mol×K	[756.62; 969.81]
Cp,gas	624.21	J/mol×K	756.62	Joback Calculated Property
Cp,gas	638.00	J/mol×K	792.15	Joback Calculated Property
Cp,gas	650.69	J/mol×K	827.68	Joback Calculated Property
Cp,gas	662.31	J/mol×K	863.22	Joback Calculated Property
Cp,gas	672.88	J/mol×K	898.75	Joback Calculated Property
Cp,gas	682.43	J/mol×K	934.28	Joback Calculated Property
Cp,gas	690.97	J/mol×K	969.81	Joback Calculated Property
η	[0.0000641; 0.0011205]	Pa×s	[427.21; 756.62]
η	0.0011205	Pa×s	427.21	Joback Calculated Property
η	0.0005302	Pa×s	482.11	Joback Calculated Property
η	0.0002924	Pa×s	537.01	Joback Calculated Property
η	0.0001800	Pa×s	591.92	Joback Calculated Property
η	0.0001204	Pa×s	646.82	Joback Calculated Property
η	0.0000857	Pa×s	701.72	Joback Calculated Property
η	0.0000641	Pa×s	756.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-bromophenyl 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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