Chemical Properties of Sebacic acid, decyl 3-methylbut-2-enyl ester

InChI

InChI=1S/C25H46O4/c1-4-5-6-7-8-11-14-17-21-28-24(26)18-15-12-9-10-13-16-19-25(27)29-22-20-23(2)3/h20H,4-19,21-22H2,1-3H3

InChI Key

XBMDYCYGVXXIDH-UHFFFAOYSA-N

Formula

C25H46O4

SMILES

CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC=C(C)C

Molecular Weight¹

410.63

• 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).
• 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
ΔfG°	-236.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-941.50	kJ/mol	Joback Calculated Property
ΔfusH°	64.97	kJ/mol	Joback Calculated Property
ΔvapH°	89.59	kJ/mol	Joback Calculated Property
log10WS	-7.87		Crippen Calculated Property
logPoct/wat	7.300		Crippen Calculated Property
McVol	373.690	ml/mol	McGowan Calculated Property
Pc	830.98	kPa	Joback Calculated Property
Inp	[2889.00; 2889.00]
Inp	2889.00		NIST
Inp	2889.00		NIST
Tboil	928.02	K	Joback Calculated Property
Tc	1137.79	K	Joback Calculated Property
Tfus	496.79	K	Joback Calculated Property
Vc	1.464	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1253.42; 1354.42]	J/mol×K	[928.02; 1137.79]
Cp,gas	1253.42	J/mol×K	928.02	Joback Calculated Property
Cp,gas	1273.51	J/mol×K	962.98	Joback Calculated Property
Cp,gas	1292.23	J/mol×K	997.94	Joback Calculated Property
Cp,gas	1309.62	J/mol×K	1032.90	Joback Calculated Property
Cp,gas	1325.75	J/mol×K	1067.86	Joback Calculated Property
Cp,gas	1340.66	J/mol×K	1102.83	Joback Calculated Property
Cp,gas	1354.42	J/mol×K	1137.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl 3-methylbut-2-enyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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