Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl tridec-2-yn-1-yl ester

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-29-25(27)19-16-20-26(28)30-22-24-18-14-13-17-23(24)2/h3-11,13-14,16-22H2,1-2H3

InChI Key

JFQGJLYZATXKLS-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCC1=C(C)CCCC1

Molecular Weight¹

418.61

• 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°	-54.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-687.77	kJ/mol	Joback Calculated Property
ΔfusH°	63.00	kJ/mol	Joback Calculated Property
ΔvapH°	96.29	kJ/mol	Joback Calculated Property
log10WS	-7.97		Crippen Calculated Property
logPoct/wat	6.668		Crippen Calculated Property
McVol	368.320	ml/mol	McGowan Calculated Property
Pc	965.67	kPa	Joback Calculated Property
Inp	[3054.00; 3054.00]
Inp	3054.00		NIST
Inp	3054.00		NIST
Tboil	989.20	K	Joback Calculated Property
Tc	1211.14	K	Joback Calculated Property
Tfus	670.62	K	Joback Calculated Property
Vc	1.421	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1250.36; 1332.06]	J/mol×K	[989.20; 1211.14]
Cp,gas	1250.36	J/mol×K	989.20	Joback Calculated Property
Cp,gas	1267.88	J/mol×K	1026.19	Joback Calculated Property
Cp,gas	1283.79	J/mol×K	1063.18	Joback Calculated Property
Cp,gas	1298.11	J/mol×K	1100.17	Joback Calculated Property
Cp,gas	1310.91	J/mol×K	1137.16	Joback Calculated Property
Cp,gas	1322.21	J/mol×K	1174.15	Joback Calculated Property
Cp,gas	1332.06	J/mol×K	1211.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl tridec-2-yn-1-yl ester.

Sources

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

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