Chemical Properties of Sebacic acid, hex-4-yn-3-yl pentadecyl ester

InChI

InChI=1S/C31H56O4/c1-4-7-8-9-10-11-12-13-14-15-18-21-24-28-34-30(32)26-22-19-16-17-20-23-27-31(33)35-29(6-3)25-5-2/h29H,4,6-24,26-28H2,1-3H3

InChI Key

IRRMVVIYSQHFAV-UHFFFAOYSA-N

Formula

C31H56O4

SMILES

CC#CC(CC)OC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCC

Molecular Weight¹

492.77

• 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°	-57.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.75	kJ/mol	Joback Calculated Property
ΔfusH°	81.22	kJ/mol	Joback Calculated Property
ΔvapH°	104.68	kJ/mol	Joback Calculated Property
log10WS	-10.43		Crippen Calculated Property
logPoct/wat	9.087		Crippen Calculated Property
McVol	453.930	ml/mol	McGowan Calculated Property
Pc	646.15	kPa	Joback Calculated Property
Inp	[3425.00; 3425.00]
Inp	3425.00		NIST
Inp	3425.00		NIST
Tboil	1069.82	K	Joback Calculated Property
Tc	1335.10	K	Joback Calculated Property
Tfus	674.55	K	Joback Calculated Property
Vc	1.776	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1613.07; 1711.21]	J/mol×K	[1069.82; 1335.10]
Cp,gas	1613.07	J/mol×K	1069.82	Joback Calculated Property
Cp,gas	1635.10	J/mol×K	1114.03	Joback Calculated Property
Cp,gas	1654.72	J/mol×K	1158.25	Joback Calculated Property
Cp,gas	1672.03	J/mol×K	1202.46	Joback Calculated Property
Cp,gas	1687.15	J/mol×K	1246.67	Joback Calculated Property
Cp,gas	1700.17	J/mol×K	1290.88	Joback Calculated Property
Cp,gas	1711.21	J/mol×K	1335.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hex-4-yn-3-yl pentadecyl ester.

Sources

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

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