Chemical Properties of Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester

InChI

InChI=1S/C31H56O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-26-34-30(32)24-22-25-31(33)35-29(23-8-6-2)27-28(3)4/h28-29H,5-7,9-22,24-27H2,1-4H3

InChI Key

LYUYDTPEFZMIGG-UHFFFAOYSA-N

Formula

C31H56O4

SMILES

CCC#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

492.77

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.2324		Relay (... Calculated Property
ΔfG°	-59.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1028.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	77.70	kJ/mol	Joback Calculated Property
ΔvapH°	132.18	kJ/mol	Relay (... Calculated Property
IE	9.40	eV	Relay (... Calculated Property
log10WS	-8.24		Relay (... Calculated Property
logPoct/wat	8.943		Crippen Calculated Property
McVol	453.930	ml/mol	McGowan Calculated Property
Pc	648.78	kPa	Joback Calculated Property
Inp	[3913.00; 3913.00]
Inp	3913.00		NIST
Inp	3913.00		NIST
Tboil	675.17	K	Relay (... Calculated Property
Tc	862.66	K	Relay (... Calculated Property
Tfus	303.26	K	Relay (... Calculated Property
Vc	1.693	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1613.22; 1709.76]	J/mol×K	[1069.38; 1331.61]
Cp,gas	1613.22	J/mol×K	1069.38	Joback Calculated Property
Cp,gas	1634.91	J/mol×K	1113.09	Joback Calculated Property
Cp,gas	1654.22	J/mol×K	1156.79	Joback Calculated Property
Cp,gas	1671.26	J/mol×K	1200.50	Joback Calculated Property
Cp,gas	1686.13	J/mol×K	1244.20	Joback Calculated Property
Cp,gas	1698.92	J/mol×K	1287.91	Joback Calculated Property
Cp,gas	1709.76	J/mol×K	1331.61	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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