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

InChI

InChI=1S/C24H44O4/c1-3-5-7-9-14-18-22-28-24(26)20-16-13-11-10-12-15-19-23(25)27-21-17-8-6-4-2/h6,8H,3-5,7,9-22H2,1-2H3/b8-6+

InChI Key

WUDWDVZGINVWKV-SOFGYWHQSA-N

Formula

C24H44O4

SMILES

CCC=CCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC

Molecular Weight¹

396.60

• 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	-1077.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.69	kJ/mol	Joback Calculated Property
ΔvapH°	112.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-6.13		Relay (1.0) Calculated Property
logPoct/wat	6.910		Crippen Calculated Property
McVol	359.600	ml/mol	McGowan Calculated Property
Pc	876.36	kPa	Joback Calculated Property
Inp	[2767.00; 2767.00]
Inp	2767.00		NIST
Inp	2767.00		NIST
Tboil	640.92	K	Relay (1.0) Calculated Property
Tc	813.82	K	Relay (1.0) Calculated Property
Tfus	267.28	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	[1190.55; 1289.52]	J/mol×K	[905.26; 1108.91]
Cp,gas	1190.55	J/mol×K	905.26	Joback Calculated Property
Cp,gas	1210.11	J/mol×K	939.20	Joback Calculated Property
Cp,gas	1228.39	J/mol×K	973.14	Joback Calculated Property
Cp,gas	1245.42	J/mol×K	1007.08	Joback Calculated Property
Cp,gas	1261.26	J/mol×K	1041.03	Joback Calculated Property
Cp,gas	1275.94	J/mol×K	1074.97	Joback Calculated Property
Cp,gas	1289.52	J/mol×K	1108.91	Joback Calculated Property
η	[0.0000257; 0.0004895]	Pa×s	[499.48; 905.26]
η	0.0004895	Pa×s	499.48	Joback Calculated Property
η	0.0002235	Pa×s	567.11	Joback Calculated Property
η	0.0001206	Pa×s	634.74	Joback Calculated Property
η	0.0000733	Pa×s	702.37	Joback Calculated Property
η	0.0000486	Pa×s	770.00	Joback Calculated Property
η	0.0000345	Pa×s	837.63	Joback Calculated Property
η	0.0000257	Pa×s	905.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, octyl 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.