Chemical Properties of Sebacic acid, 4-isopropoxyphenyl propyl ester

InChI

InChI=1S/C22H34O5/c1-4-17-25-21(23)11-9-7-5-6-8-10-12-22(24)27-20-15-13-19(14-16-20)26-18(2)3/h13-16,18H,4-12,17H2,1-3H3

InChI Key

YDGMPBPHQGJFDK-UHFFFAOYSA-N

Formula

C22H34O5

SMILES

CCCOC(=O)CCCCCCCCC(=O)Oc1ccc(OC(C)C)cc1

Molecular Weight¹

378.50

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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	-1025.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.63	kJ/mol	Joback Calculated Property
ΔvapH°	103.86	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.31		Relay (1.0) Calculated Property
logPoct/wat	5.453		Crippen Calculated Property
McVol	317.830	ml/mol	McGowan Calculated Property
Pc	1164.04	kPa	Joback Calculated Property
Inp	[2708.00; 2708.00]
Inp	2708.00		NIST
Inp	2708.00		NIST
Tboil	654.20	K	Relay (1.0) Calculated Property
Tc	841.39	K	Relay (1.0) Calculated Property
Tfus	328.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[1027.47; 1103.44]	J/mol×K	[908.98; 1115.86]
Cp,gas	1027.47	J/mol×K	908.98	Joback Calculated Property
Cp,gas	1043.51	J/mol×K	943.46	Joback Calculated Property
Cp,gas	1058.17	J/mol×K	977.94	Joback Calculated Property
Cp,gas	1071.48	J/mol×K	1012.42	Joback Calculated Property
Cp,gas	1083.45	J/mol×K	1046.90	Joback Calculated Property
Cp,gas	1094.10	J/mol×K	1081.38	Joback Calculated Property
Cp,gas	1103.44	J/mol×K	1115.86	Joback Calculated Property
η	[0.0000281; 0.0003727]	Pa×s	[528.19; 908.98]
η	0.0003727	Pa×s	528.19	Joback Calculated Property
η	0.0001922	Pa×s	591.65	Joback Calculated Property
η	0.0001127	Pa×s	655.12	Joback Calculated Property
η	0.0000726	Pa×s	718.59	Joback Calculated Property
η	0.0000503	Pa×s	782.05	Joback Calculated Property
η	0.0000367	Pa×s	845.51	Joback Calculated Property
η	0.0000281	Pa×s	908.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-isopropoxyphenyl propyl 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.