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

InChI

InChI=1S/C31H54O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-26-34-30(32)22-20-23-31(33)35-29(25-24-27(3)4)28(5)21-7-2/h28-29H,3,6-23,26H2,1-2,4-5H3

InChI Key

SRTRKZQZORUMKW-UHFFFAOYSA-N

Formula

C31H54O4

SMILES

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

Molecular Weight¹

490.76

• 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	1.2014		Relay (... Calculated Property
ΔfG°	19.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-922.24	kJ/mol	Relay (... Calculated Property
ΔfusH°	75.11	kJ/mol	Joback Calculated Property
ΔvapH°	130.50	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-7.81		Relay (... Calculated Property
logPoct/wat	8.719		Crippen Calculated Property
McVol	449.630	ml/mol	McGowan Calculated Property
Pc	664.60	kPa	Joback Calculated Property
Inp	[3259.00; 3259.00]
Inp	3259.00		NIST
Inp	3259.00		NIST
Tboil	679.92	K	Relay (... Calculated Property
Tc	859.02	K	Relay (... Calculated Property
Tfus	296.81	K	Relay (... Calculated Property
Vc	1.653	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1581.92; 1678.60]	J/mol×K	[1065.94; 1321.98]
Cp,gas	1581.92	J/mol×K	1065.94	Joback Calculated Property
Cp,gas	1603.03	J/mol×K	1108.61	Joback Calculated Property
Cp,gas	1621.99	J/mol×K	1151.29	Joback Calculated Property
Cp,gas	1638.93	J/mol×K	1193.96	Joback Calculated Property
Cp,gas	1653.94	J/mol×K	1236.63	Joback Calculated Property
Cp,gas	1667.12	J/mol×K	1279.31	Joback Calculated Property
Cp,gas	1678.60	J/mol×K	1321.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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