Chemical Properties of Sebacic acid, 3-ethylphenyl isobutyl ester

InChI

InChI=1S/C22H34O4/c1-4-19-12-11-13-20(16-19)26-22(24)15-10-8-6-5-7-9-14-21(23)25-17-18(2)3/h11-13,16,18H,4-10,14-15,17H2,1-3H3

InChI Key

IVPHLBSYSHRPMN-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCc1cccc(OC(=O)CCCCCCCCC(=O)OCC(C)C)c1

Molecular Weight¹

362.50

• 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	-897.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.60	kJ/mol	Joback Calculated Property
ΔvapH°	105.74	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.474		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Pc	1114.08	kPa	Joback Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	645.65	K	Relay (1.0) Calculated Property
Tc	845.89	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	[983.36; 1065.84]	J/mol×K	[850.62; 1049.05]
Cp,gas	983.36	J/mol×K	850.62	Joback Calculated Property
Cp,gas	1000.23	J/mol×K	883.69	Joback Calculated Property
Cp,gas	1015.81	J/mol×K	916.76	Joback Calculated Property
Cp,gas	1030.13	J/mol×K	949.84	Joback Calculated Property
Cp,gas	1043.23	J/mol×K	982.91	Joback Calculated Property
Cp,gas	1055.12	J/mol×K	1015.98	Joback Calculated Property
Cp,gas	1065.84	J/mol×K	1049.05	Joback Calculated Property
η	[0.0000291; 0.0008617]	Pa×s	[446.30; 850.62]
η	0.0008617	Pa×s	446.30	Joback Calculated Property
η	0.0003383	Pa×s	513.69	Joback Calculated Property
η	0.0001649	Pa×s	581.07	Joback Calculated Property
η	0.0000934	Pa×s	648.46	Joback Calculated Property
η	0.0000588	Pa×s	715.85	Joback Calculated Property
η	0.0000401	Pa×s	783.23	Joback Calculated Property
η	0.0000291	Pa×s	850.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-ethylphenyl 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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