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

InChI

InChI=1S/C26H44O4/c1-6-8-9-10-11-12-13-14-21-29-25(27)17-15-18-26(28)30-24(20-19-22(3)4)23(5)16-7-2/h23-24H,3,6-18,21H2,1-2,4-5H3

InChI Key

OKPJIUHHWLPTOJ-UHFFFAOYSA-N

Formula

C26H44O4

SMILES

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

Molecular Weight¹

420.63

• 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	1.0245		Relay (1.0) Calculated Property
ΔfG°	-22.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-814.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.16	kJ/mol	Joback Calculated Property
ΔvapH°	111.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	6.768		Crippen Calculated Property
McVol	379.180	ml/mol	McGowan Calculated Property
Pc	865.56	kPa	Joback Calculated Property
Inp	[2741.00; 2741.00]
Inp	2741.00		NIST
Inp	2741.00		NIST
Tboil	645.76	K	Relay (1.0) Calculated Property
Tc	824.71	K	Relay (1.0) Calculated Property
Tfus	280.11	K	Relay (1.0) Calculated Property
Vc	1.380	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1261.56; 1353.92]	J/mol×K	[951.54; 1165.04]
Cp,gas	1261.56	J/mol×K	951.54	Joback Calculated Property
Cp,gas	1280.43	J/mol×K	987.12	Joback Calculated Property
Cp,gas	1297.86	J/mol×K	1022.71	Joback Calculated Property
Cp,gas	1313.87	J/mol×K	1058.29	Joback Calculated Property
Cp,gas	1328.52	J/mol×K	1093.87	Joback Calculated Property
Cp,gas	1341.86	J/mol×K	1129.46	Joback Calculated Property
Cp,gas	1353.92	J/mol×K	1165.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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