Chemical Properties of Glutaric acid, 4-acetylphenyl isobutyl ester

InChI

InChI=1S/C17H22O5/c1-12(2)11-21-16(19)5-4-6-17(20)22-15-9-7-14(8-10-15)13(3)18/h7-10,12H,4-6,11H2,1-3H3

InChI Key

XXODERYIRAVZRM-UHFFFAOYSA-N

Formula

C17H22O5

SMILES

CC(=O)c1ccc(OC(=O)CCCC(=O)OCC(C)C)cc1

Molecular Weight¹

306.35

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-927.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.09	kJ/mol	Joback Calculated Property
ΔvapH°	92.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
logPoct/wat	3.164		Crippen Calculated Property
McVol	243.080	ml/mol	McGowan Calculated Property
Pc	1778.84	kPa	Joback Calculated Property
Inp	[2407.00; 2407.00]
Inp	2407.00		NIST
Inp	2407.00		NIST
Tboil	631.39	K	Relay (1.0) Calculated Property
Tc	832.75	K	Relay (1.0) Calculated Property
Tfus	343.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[721.16; 788.14]	J/mol×K	[826.03; 1035.87]
Cp,gas	721.16	J/mol×K	826.03	Joback Calculated Property
Cp,gas	735.03	J/mol×K	861.00	Joback Calculated Property
Cp,gas	747.79	J/mol×K	895.98	Joback Calculated Property
Cp,gas	759.47	J/mol×K	930.95	Joback Calculated Property
Cp,gas	770.08	J/mol×K	965.92	Joback Calculated Property
Cp,gas	779.63	J/mol×K	1000.89	Joback Calculated Property
Cp,gas	788.14	J/mol×K	1035.87	Joback Calculated Property
η	[0.0000732; 0.0007347]	Pa×s	[499.54; 826.03]
η	0.0007347	Pa×s	499.54	Joback Calculated Property
η	0.0004142	Pa×s	553.96	Joback Calculated Property
η	0.0002588	Pa×s	608.37	Joback Calculated Property
η	0.0001746	Pa×s	662.78	Joback Calculated Property
η	0.0001251	Pa×s	717.20	Joback Calculated Property
η	0.0000939	Pa×s	771.62	Joback Calculated Property
η	0.0000732	Pa×s	826.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-acetylphenyl 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.