Chemical Properties of Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester

InChI

InChI=1S/C32H50O4/c1-9-17-27(7)29(23-21-25(3)4)35-31(33)19-15-13-11-12-14-16-20-32(34)36-30(24-22-26(5)6)28(8)18-10-2/h27-30H,3,5,9-20H2,1-2,4,6-8H3

InChI Key

JBOWKLYFDXLJPV-UHFFFAOYSA-N

Formula

C32H50O4

SMILES

C=C(C)C#CC(OC(=O)CCCCCCCCC(=O)OC(C#CC(=C)C)C(C)CCC)C(C)CCC

Molecular Weight¹

498.74

• 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°	305.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.65	kJ/mol	Joback Calculated Property
ΔfusH°	71.18	kJ/mol	Joback Calculated Property
ΔvapH°	106.71	kJ/mol	Joback Calculated Property
log10WS	-9.98		Crippen Calculated Property
logPoct/wat	7.962		Crippen Calculated Property
McVol	450.820	ml/mol	McGowan Calculated Property
Pc	710.35	kPa	Joback Calculated Property
Inp	[3059.00; 3059.00]
Inp	3059.00		NIST
Inp	3059.00		NIST
Tboil	1093.50	K	Joback Calculated Property
Tc	1344.31	K	Joback Calculated Property
Tfus	715.48	K	Joback Calculated Property
Vc	1.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1556.66; 1642.94]	J/mol×K	[1093.50; 1344.31]
Cp,gas	1556.66	J/mol×K	1093.50	Joback Calculated Property
Cp,gas	1575.34	J/mol×K	1135.30	Joback Calculated Property
Cp,gas	1592.16	J/mol×K	1177.10	Joback Calculated Property
Cp,gas	1607.23	J/mol×K	1218.90	Joback Calculated Property
Cp,gas	1620.65	J/mol×K	1260.70	Joback Calculated Property
Cp,gas	1632.52	J/mol×K	1302.51	Joback Calculated Property
Cp,gas	1642.94	J/mol×K	1344.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester.

Sources

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

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