Chemical Properties of Sebacic acid, 3-methylbut-3-enyl undecyl ester

InChI

InChI=1S/C26H48O4/c1-4-5-6-7-8-9-12-15-18-22-29-25(27)19-16-13-10-11-14-17-20-26(28)30-23-21-24(2)3/h2,4-23H2,1,3H3

InChI Key

XQXUOPTVCQHKPQ-UHFFFAOYSA-N

Formula

C26H48O4

SMILES

C=C(C)CCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCC

Molecular Weight¹

424.66

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2076		Relay (... Calculated Property
ΔfG°	-220.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1099.12	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.08	kJ/mol	Joback Calculated Property
ΔvapH°	118.80	kJ/mol	Relay (... Calculated Property
IE	9.30	eV	Relay (... Calculated Property
log10WS	-6.80		Relay (... Calculated Property
logPoct/wat	7.691		Crippen Calculated Property
McVol	387.780	ml/mol	McGowan Calculated Property
Pc	782.43	kPa	Joback Calculated Property
Inp	[2958.00; 2958.00]
Inp	2958.00		NIST
Inp	2958.00		NIST
Tboil	666.22	K	Relay (... Calculated Property
Tc	825.30	K	Relay (... Calculated Property
Tfus	294.85	K	Relay (... Calculated Property
Vc	1.483	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1315.18; 1416.95]	J/mol×K	[943.42; 1159.51]
Cp,gas	1315.18	J/mol×K	943.42	Joback Calculated Property
Cp,gas	1335.85	J/mol×K	979.44	Joback Calculated Property
Cp,gas	1354.96	J/mol×K	1015.45	Joback Calculated Property
Cp,gas	1372.58	J/mol×K	1051.47	Joback Calculated Property
Cp,gas	1388.75	J/mol×K	1087.48	Joback Calculated Property
Cp,gas	1403.52	J/mol×K	1123.50	Joback Calculated Property
Cp,gas	1416.95	J/mol×K	1159.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-methylbut-3-enyl undecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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