Chemical Properties of Sebacic acid, 4-acetylphenyl isobutyl ester

InChI

InChI=1S/C22H32O5/c1-17(2)16-26-21(24)10-8-6-4-5-7-9-11-22(25)27-20-14-12-19(13-15-20)18(3)23/h12-15,17H,4-11,16H2,1-3H3

InChI Key

SAIWYTGOQZOUGZ-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

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

Molecular Weight¹

376.49

• 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	-1022.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.04	kJ/mol	Joback Calculated Property
ΔvapH°	108.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
logPoct/wat	5.115		Crippen Calculated Property
McVol	313.530	ml/mol	McGowan Calculated Property
Pc	1230.28	kPa	Joback Calculated Property
Inp	[2962.00; 2962.00]
Inp	2962.00		NIST
Inp	2962.00		NIST
Tboil	663.03	K	Relay (1.0) Calculated Property
Tc	871.20	K	Relay (1.0) Calculated Property
Tfus	347.33	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	[1013.54; 1082.20]	J/mol×K	[940.43; 1154.17]
Cp,gas	1013.54	J/mol×K	940.43	Joback Calculated Property
Cp,gas	1028.24	J/mol×K	976.05	Joback Calculated Property
Cp,gas	1041.59	J/mol×K	1011.68	Joback Calculated Property
Cp,gas	1053.63	J/mol×K	1047.30	Joback Calculated Property
Cp,gas	1064.39	J/mol×K	1082.93	Joback Calculated Property
Cp,gas	1073.91	J/mol×K	1118.55	Joback Calculated Property
Cp,gas	1082.20	J/mol×K	1154.17	Joback Calculated Property
η	[0.0000357; 0.0004310]	Pa×s	[555.89; 940.43]
η	0.0004310	Pa×s	555.89	Joback Calculated Property
η	0.0002297	Pa×s	619.98	Joback Calculated Property
η	0.0001377	Pa×s	684.07	Joback Calculated Property
η	0.0000901	Pa×s	748.16	Joback Calculated Property
η	0.0000631	Pa×s	812.25	Joback Calculated Property
η	0.0000465	Pa×s	876.34	Joback Calculated Property
η	0.0000357	Pa×s	940.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic 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.