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

InChI

InChI=1S/C23H36O4/c1-5-10-19(4)21(16-15-18(2)3)27-23(25)14-9-13-22(24)26-17-20-11-7-6-8-12-20/h19-21H,2,5-14,17H2,1,3-4H3

InChI Key

FYUYZFQOPKBZRK-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

C=C(C)C#CC(OC(=O)CCCC(=O)OCC1CCCCC1)C(C)CCC

Molecular Weight¹

376.53

• 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°	-23.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-575.95	kJ/mol	Joback Calculated Property
ΔfusH°	46.22	kJ/mol	Joback Calculated Property
ΔvapH°	86.32	kJ/mol	Joback Calculated Property
log10WS	-6.35		Crippen Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	326.050	ml/mol	McGowan Calculated Property
Pc	1184.16	kPa	Joback Calculated Property
Inp	[2486.00; 2486.00]
Inp	2486.00		NIST
Inp	2486.00		NIST
Tboil	902.45	K	Joback Calculated Property
Tc	1117.25	K	Joback Calculated Property
Tfus	561.05	K	Joback Calculated Property
Vc	1.236	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1070.90; 1158.74]	J/mol×K	[902.45; 1117.25]
Cp,gas	1070.90	J/mol×K	902.45	Joback Calculated Property
Cp,gas	1089.19	J/mol×K	938.25	Joback Calculated Property
Cp,gas	1105.97	J/mol×K	974.05	Joback Calculated Property
Cp,gas	1121.27	J/mol×K	1009.85	Joback Calculated Property
Cp,gas	1135.14	J/mol×K	1045.65	Joback Calculated Property
Cp,gas	1147.62	J/mol×K	1081.45	Joback Calculated Property
Cp,gas	1158.74	J/mol×K	1117.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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