Chemical Properties of Sebacic acid, 2,2-dichloroethyl tridecyl ester

InChI

InChI=1S/C25H46Cl2O4/c1-2-3-4-5-6-7-8-9-12-15-18-21-30-24(28)19-16-13-10-11-14-17-20-25(29)31-22-23(26)27/h23H,2-22H2,1H3

InChI Key

CIFOYKFDYAJUPH-UHFFFAOYSA-N

Formula

C25H46Cl2O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

481.54

• 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	-1214.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.95	kJ/mol	Joback Calculated Property
ΔvapH°	129.33	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.79		Relay (1.0) Calculated Property
logPoct/wat	8.308		Crippen Calculated Property
McVol	402.470	ml/mol	McGowan Calculated Property
Pc	775.05	kPa	Joback Calculated Property
Inp	[3246.00; 3246.00]
Inp	3246.00		NIST
Inp	3246.00		NIST
Tboil	670.32	K	Relay (1.0) Calculated Property
Tc	856.21	K	Relay (1.0) Calculated Property
Tfus	320.72	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	[1340.42; 1427.88]	J/mol×K	[998.40; 1230.91]
Cp,gas	1340.42	J/mol×K	998.40	Joback Calculated Property
Cp,gas	1359.09	J/mol×K	1037.15	Joback Calculated Property
Cp,gas	1376.04	J/mol×K	1075.90	Joback Calculated Property
Cp,gas	1391.33	J/mol×K	1114.66	Joback Calculated Property
Cp,gas	1405.03	J/mol×K	1153.41	Joback Calculated Property
Cp,gas	1417.19	J/mol×K	1192.16	Joback Calculated Property
Cp,gas	1427.88	J/mol×K	1230.91	Joback Calculated Property
η	[0.0000159; 0.0003061]	Pa×s	[560.67; 998.40]
η	0.0003061	Pa×s	560.67	Joback Calculated Property
η	0.0001408	Pa×s	633.62	Joback Calculated Property
η	0.0000760	Pa×s	706.58	Joback Calculated Property
η	0.0000461	Pa×s	779.54	Joback Calculated Property
η	0.0000304	Pa×s	852.49	Joback Calculated Property
η	0.0000214	Pa×s	925.45	Joback Calculated Property
η	0.0000159	Pa×s	998.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,2-dichloroethyl tridecyl 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.