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

InChI

InChI=1S/C22H38O4/c1-5-7-9-10-11-12-17-25-21(23)15-13-16-22(24)26-20(14-8-6-2)18-19(3)4/h19-20H,5-7,9-13,15-18H2,1-4H3

InChI Key

CCFHMEBEKKYVJZ-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

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

Molecular Weight¹

366.53

• 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°	-135.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-725.27	kJ/mol	Joback Calculated Property
ΔfusH°	54.39	kJ/mol	Joback Calculated Property
ΔvapH°	84.25	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	5.432		Crippen Calculated Property
McVol	327.120	ml/mol	McGowan Calculated Property
Pc	1066.57	kPa	Joback Calculated Property
Inp	[3503.00; 3503.00]
Inp	3503.00		NIST
Inp	3503.00		NIST
Tboil	863.46	K	Joback Calculated Property
Tc	1060.75	K	Joback Calculated Property
Tfus	558.12	K	Joback Calculated Property
Vc	1.266	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.86; 1132.95]	J/mol×K	[863.46; 1060.75]
Cp,gas	1041.86	J/mol×K	863.46	Joback Calculated Property
Cp,gas	1059.98	J/mol×K	896.34	Joback Calculated Property
Cp,gas	1076.90	J/mol×K	929.22	Joback Calculated Property
Cp,gas	1092.63	J/mol×K	962.11	Joback Calculated Property
Cp,gas	1107.20	J/mol×K	994.99	Joback Calculated Property
Cp,gas	1120.63	J/mol×K	1027.87	Joback Calculated Property
Cp,gas	1132.95	J/mol×K	1060.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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