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

InChI

InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-13-16-19-23-30-26(28)20-17-14-11-12-15-18-21-27(29)31-24-22-25(2)3/h2,4-24H2,1,3H3

InChI Key

DIDHUAXJKCUHCQ-UHFFFAOYSA-N

Formula

C27H50O4

SMILES

C=C(C)CCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCC

Molecular Weight¹

438.68

• 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	1.2428		Relay (... Calculated Property
ΔfG°	-212.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1119.59	kJ/mol	Relay (... Calculated Property
ΔfusH°	68.67	kJ/mol	Joback Calculated Property
ΔvapH°	122.68	kJ/mol	Relay (... Calculated Property
IE	9.33	eV	Relay (... Calculated Property
log10WS	-7.14		Relay (... Calculated Property
logPoct/wat	8.081		Crippen Calculated Property
McVol	401.870	ml/mol	McGowan Calculated Property
Pc	742.05	kPa	Joback Calculated Property
Inp	[3058.00; 3058.00]
Inp	3058.00		NIST
Inp	3058.00		NIST
Tboil	672.78	K	Relay (... Calculated Property
Tc	831.75	K	Relay (... Calculated Property
Tfus	298.45	K	Relay (... Calculated Property
Vc	1.538	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1379.32; 1482.91]	J/mol×K	[966.30; 1191.27]
Cp,gas	1379.32	J/mol×K	966.30	Joback Calculated Property
Cp,gas	1400.62	J/mol×K	1003.79	Joback Calculated Property
Cp,gas	1420.22	J/mol×K	1041.29	Joback Calculated Property
Cp,gas	1438.18	J/mol×K	1078.78	Joback Calculated Property
Cp,gas	1454.57	J/mol×K	1116.28	Joback Calculated Property
Cp,gas	1469.46	J/mol×K	1153.77	Joback Calculated Property
Cp,gas	1482.91	J/mol×K	1191.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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