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

InChI

InChI=1S/C23H38O4/c1-7-9-10-13-20(6)26-22(24)14-11-15-23(25)27-21(17-16-18(3)4)19(5)12-8-2/h19-21H,3,7-15H2,1-2,4-6H3

InChI Key

ZMOVODWYIKIZBN-UHFFFAOYSA-N

Formula

C23H38O4

SMILES

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

Molecular Weight¹

378.55

• 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°	-50.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-635.55	kJ/mol	Joback Calculated Property
ΔfusH°	50.86	kJ/mol	Joback Calculated Property
ΔvapH°	85.50	kJ/mol	Joback Calculated Property
log10WS	-6.81		Crippen Calculated Property
logPoct/wat	5.596		Crippen Calculated Property
McVol	336.910	ml/mol	McGowan Calculated Property
Pc	1038.57	kPa	Joback Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
Tboil	882.46	K	Joback Calculated Property
Tc	1084.56	K	Joback Calculated Property
Tfus	538.67	K	Joback Calculated Property
Vc	1.298	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1075.08; 1165.20]	J/mol×K	[882.46; 1084.56]
Cp,gas	1075.08	J/mol×K	882.46	Joback Calculated Property
Cp,gas	1093.11	J/mol×K	916.14	Joback Calculated Property
Cp,gas	1109.90	J/mol×K	949.83	Joback Calculated Property
Cp,gas	1125.48	J/mol×K	983.51	Joback Calculated Property
Cp,gas	1139.87	J/mol×K	1017.19	Joback Calculated Property
Cp,gas	1153.10	J/mol×K	1050.87	Joback Calculated Property
Cp,gas	1165.20	J/mol×K	1084.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl 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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