Chemical Properties of Sebacic acid, dodecyl trans-3-hexenyl ester

InChI

InChI=1S/C28H52O4/c1-3-5-7-9-10-11-12-15-18-22-26-32-28(30)24-20-17-14-13-16-19-23-27(29)31-25-21-8-6-4-2/h6,8H,3-5,7,9-26H2,1-2H3/b8-6+

InChI Key

PZKBBINKHOLBPZ-SOFGYWHQSA-N

Formula

C28H52O4

SMILES

CCC=CCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCC

Molecular Weight¹

452.71

• 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).
• IE : Ionization energy (eV).
• 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	-1159.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.05	kJ/mol	Joback Calculated Property
ΔvapH°	127.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-7.44		Relay (1.0) Calculated Property
logPoct/wat	8.471		Crippen Calculated Property
McVol	415.960	ml/mol	McGowan Calculated Property
Pc	706.58	kPa	Joback Calculated Property
Inp	[3173.00; 3173.00]
Inp	3173.00		NIST
Inp	3173.00		NIST
Tboil	667.31	K	Relay (1.0) Calculated Property
Tc	840.17	K	Relay (1.0) Calculated Property
Tfus	284.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1446.46; 1554.32]	J/mol×K	[996.78; 1234.53]
Cp,gas	1446.46	J/mol×K	996.78	Joback Calculated Property
Cp,gas	1468.63	J/mol×K	1036.40	Joback Calculated Property
Cp,gas	1489.00	J/mol×K	1076.03	Joback Calculated Property
Cp,gas	1507.66	J/mol×K	1115.65	Joback Calculated Property
Cp,gas	1524.71	J/mol×K	1155.28	Joback Calculated Property
Cp,gas	1540.23	J/mol×K	1194.90	Joback Calculated Property
Cp,gas	1554.32	J/mol×K	1234.53	Joback Calculated Property
η	[0.0000139; 0.0002922]	Pa×s	[544.56; 996.78]
η	0.0002922	Pa×s	544.56	Joback Calculated Property
η	0.0001291	Pa×s	619.93	Joback Calculated Property
η	0.0000681	Pa×s	695.30	Joback Calculated Property
η	0.0000407	Pa×s	770.67	Joback Calculated Property
η	0.0000266	Pa×s	846.04	Joback Calculated Property
η	0.0000187	Pa×s	921.41	Joback Calculated Property
η	0.0000139	Pa×s	996.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, dodecyl trans-3-hexenyl 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.