Chemical Properties of Sebacic acid, 2,5-dimethylphenyl ethyl ester

InChI

InChI=1S/C20H30O4/c1-4-23-19(21)11-9-7-5-6-8-10-12-20(22)24-18-15-16(2)13-14-17(18)3/h13-15H,4-12H2,1-3H3

InChI Key

PBGSMRVFSDOHPH-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCOC(=O)CCCCCCCCC(=O)Oc1cc(C)ccc1C

Molecular Weight¹

334.46

• 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	-862.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.39	kJ/mol	Joback Calculated Property
ΔvapH°	103.86	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	4.893		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1327.14	kPa	Joback Calculated Property
Inp	[2483.00; 2483.00]
Inp	2483.00		NIST
Inp	2483.00		NIST
Tboil	632.79	K	Relay (1.0) Calculated Property
Tc	835.48	K	Relay (1.0) Calculated Property
Tfus	315.50	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	[877.09; 956.74]	J/mol×K	[846.22; 1047.10]
Cp,gas	877.09	J/mol×K	846.22	Joback Calculated Property
Cp,gas	893.13	J/mol×K	879.70	Joback Calculated Property
Cp,gas	908.05	J/mol×K	913.18	Joback Calculated Property
Cp,gas	921.85	J/mol×K	946.66	Joback Calculated Property
Cp,gas	934.55	J/mol×K	980.14	Joback Calculated Property
Cp,gas	946.18	J/mol×K	1013.62	Joback Calculated Property
Cp,gas	956.74	J/mol×K	1047.10	Joback Calculated Property
η	[0.0000555; 0.0005107]	Pa×s	[510.94; 846.22]
η	0.0005107	Pa×s	510.94	Joback Calculated Property
η	0.0002940	Pa×s	566.82	Joback Calculated Property
η	0.0001869	Pa×s	622.70	Joback Calculated Property
η	0.0001280	Pa×s	678.58	Joback Calculated Property
η	0.0000929	Pa×s	734.46	Joback Calculated Property
η	0.0000705	Pa×s	790.34	Joback Calculated Property
η	0.0000555	Pa×s	846.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,5-dimethylphenyl ethyl 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.