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

InChI

InChI=1S/C23H42O4/c1-4-5-6-7-12-15-19-26-22(24)16-13-10-8-9-11-14-17-23(25)27-20-18-21(2)3/h2,4-20H2,1,3H3

InChI Key

KAAKNVPLKCQZHO-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

C=C(C)CCOC(=O)CCCCCCCCC(=O)OCCCCCCCC

Molecular Weight¹

382.58

• 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	1.1023		Relay (... Calculated Property
ΔfG°	-245.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1038.19	kJ/mol	Relay (... Calculated Property
ΔfusH°	58.31	kJ/mol	Joback Calculated Property
ΔvapH°	107.11	kJ/mol	Relay (... Calculated Property
IE	9.21	eV	Relay (... Calculated Property
log10WS	-5.83		Relay (... Calculated Property
logPoct/wat	6.520		Crippen Calculated Property
McVol	345.510	ml/mol	McGowan Calculated Property
Pc	925.55	kPa	Joback Calculated Property
Inp	[2654.00; 2654.00]
Inp	2654.00		NIST
Inp	2654.00		NIST
Tboil	646.02	K	Relay (... Calculated Property
Tc	804.75	K	Relay (... Calculated Property
Tfus	282.96	K	Relay (... Calculated Property
Vc	1.318	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1125.69; 1222.35]	J/mol×K	[874.78; 1070.98]
Cp,gas	1125.69	J/mol×K	874.78	Joback Calculated Property
Cp,gas	1144.76	J/mol×K	907.48	Joback Calculated Property
Cp,gas	1162.61	J/mol×K	940.18	Joback Calculated Property
Cp,gas	1179.25	J/mol×K	972.88	Joback Calculated Property
Cp,gas	1194.74	J/mol×K	1005.58	Joback Calculated Property
Cp,gas	1209.09	J/mol×K	1038.28	Joback Calculated Property
Cp,gas	1222.35	J/mol×K	1070.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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