Chemical Properties of Sebacic acid, decyl 2,4-dichlorophenethyl ester

InChI

InChI=1S/C28H44Cl2O4/c1-2-3-4-5-6-9-12-15-21-33-27(31)16-13-10-7-8-11-14-17-28(32)34-22-20-24-18-19-25(29)23-26(24)30/h18-19,23H,2-17,20-22H2,1H3

InChI Key

SQZSIKDVPSXPDE-UHFFFAOYSA-N

Formula

C28H44Cl2O4

SMILES

CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCc1ccc(Cl)cc1Cl

Molecular Weight¹

515.55

• 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	-1065.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.67	kJ/mol	Joback Calculated Property
ΔvapH°	143.32	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.32		Relay (1.0) Calculated Property
logPoct/wat	8.884		Crippen Calculated Property
McVol	420.980	ml/mol	McGowan Calculated Property
Pc	742.86	kPa	Joback Calculated Property
Inp	[3372.00; 3372.00]
Inp	3372.00		NIST
Inp	3372.00		NIST
Tboil	715.69	K	Relay (1.0) Calculated Property
Tc	917.79	K	Relay (1.0) Calculated Property
Tfus	309.20	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	[1401.70; 1465.34]	J/mol×K	[1068.18; 1316.92]
Cp,gas	1401.70	J/mol×K	1068.18	Joback Calculated Property
Cp,gas	1416.98	J/mol×K	1109.64	Joback Calculated Property
Cp,gas	1430.28	J/mol×K	1151.09	Joback Calculated Property
Cp,gas	1441.68	J/mol×K	1192.55	Joback Calculated Property
Cp,gas	1451.26	J/mol×K	1234.01	Joback Calculated Property
Cp,gas	1459.12	J/mol×K	1275.46	Joback Calculated Property
Cp,gas	1465.34	J/mol×K	1316.92	Joback Calculated Property
η	[0.0000088; 0.0001609]	Pa×s	[601.28; 1068.18]
η	0.0001609	Pa×s	601.28	Joback Calculated Property
η	0.0000751	Pa×s	679.10	Joback Calculated Property
η	0.0000410	Pa×s	756.91	Joback Calculated Property
η	0.0000250	Pa×s	834.73	Joback Calculated Property
η	0.0000166	Pa×s	912.55	Joback Calculated Property
η	0.0000118	Pa×s	990.36	Joback Calculated Property
η	0.0000088	Pa×s	1068.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl 2,4-dichlorophenethyl 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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