Chemical Properties of Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester

InChI

InChI=1S/C24H42O4/c1-5-7-15-19-27-23(25)17-13-11-9-10-12-14-18-24(26)28-22(16-8-6-2)20-21(3)4/h21-22H,5-7,9-15,17-20H2,1-4H3

InChI Key

MVZSWVXKWIIMOW-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

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

Molecular Weight¹

394.59

• 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°	-118.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-766.55	kJ/mol	Joback Calculated Property
ΔfusH°	59.57	kJ/mol	Joback Calculated Property
ΔvapH°	88.71	kJ/mol	Joback Calculated Property
log10WS	-7.26		Crippen Calculated Property
logPoct/wat	6.212		Crippen Calculated Property
McVol	355.300	ml/mol	McGowan Calculated Property
Pc	944.42	kPa	Joback Calculated Property
Inp	[2605.00; 2605.00]
Inp	2605.00		NIST
Inp	2605.00		NIST
Tboil	909.22	K	Joback Calculated Property
Tc	1113.45	K	Joback Calculated Property
Tfus	580.66	K	Joback Calculated Property
Vc	1.377	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1165.63; 1258.12]	J/mol×K	[909.22; 1113.45]
Cp,gas	1165.63	J/mol×K	909.22	Joback Calculated Property
Cp,gas	1184.33	J/mol×K	943.26	Joback Calculated Property
Cp,gas	1201.67	J/mol×K	977.30	Joback Calculated Property
Cp,gas	1217.69	J/mol×K	1011.34	Joback Calculated Property
Cp,gas	1232.42	J/mol×K	1045.37	Joback Calculated Property
Cp,gas	1245.89	J/mol×K	1079.41	Joback Calculated Property
Cp,gas	1258.12	J/mol×K	1113.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester.

Sources

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

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