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

InChI

InChI=1S/C28H48O4/c1-6-8-9-14-17-23-31-27(29)19-15-12-10-11-13-16-20-28(30)32-26(22-21-24(3)4)25(5)18-7-2/h25-26H,3,6-20,23H2,1-2,4-5H3

InChI Key

ATFDHOVOYGVREB-UHFFFAOYSA-N

Formula

C28H48O4

SMILES

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

Molecular Weight¹

448.68

• 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°	-5.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.47	kJ/mol	Joback Calculated Property
ΔfusH°	67.34	kJ/mol	Joback Calculated Property
ΔvapH°	97.02	kJ/mol	Joback Calculated Property
log10WS	-8.79		Crippen Calculated Property
logPoct/wat	7.548		Crippen Calculated Property
McVol	407.360	ml/mol	McGowan Calculated Property
Pc	775.48	kPa	Joback Calculated Property
Inp	[2912.00; 2912.00]
Inp	2912.00		NIST
Inp	2912.00		NIST
Tboil	997.30	K	Joback Calculated Property
Tc	1224.10	K	Joback Calculated Property
Tfus	610.02	K	Joback Calculated Property
Vc	1.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1388.63; 1482.64]	J/mol×K	[997.30; 1224.10]
Cp,gas	1388.63	J/mol×K	997.30	Joback Calculated Property
Cp,gas	1408.27	J/mol×K	1035.10	Joback Calculated Property
Cp,gas	1426.24	J/mol×K	1072.90	Joback Calculated Property
Cp,gas	1442.60	J/mol×K	1110.70	Joback Calculated Property
Cp,gas	1457.41	J/mol×K	1148.50	Joback Calculated Property
Cp,gas	1470.74	J/mol×K	1186.30	Joback Calculated Property
Cp,gas	1482.64	J/mol×K	1224.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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