Chemical Properties of Glutaric acid, hex-2-en-1-yl tridec-2-yn-1-yl ester

InChI

InChI=1S/C24H40O4/c1-3-5-7-9-10-11-12-13-14-15-17-22-28-24(26)20-18-19-23(25)27-21-16-8-6-4-2/h8,16H,3-7,9-14,18-22H2,1-2H3

InChI Key

PXNQAOWRZJPETA-UHFFFAOYSA-N

Formula

C24H40O4

SMILES

CCCC=CCOC(=O)CCCC(=O)OCC#CCCCCCCCCCC

Molecular Weight¹

392.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-819.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.98	kJ/mol	Joback Calculated Property
ΔvapH°	114.37	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	6.134		Crippen Calculated Property
McVol	351.000	ml/mol	McGowan Calculated Property
Pc	918.27	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	638.20	K	Relay (1.0) Calculated Property
Tc	829.10	K	Relay (1.0) Calculated Property
Tfus	267.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.39; 1182.03]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.52660e+01
Coefficient B			2.04444e+00
Coefficient C			-1.08426e-03
Coefficient D			1.86580e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	516.39	J/mol×K	273.00	Calculated Property
Cp,gas	631.10	J/mol×K	353.78	Calculated Property
Cp,gas	734.25	J/mol×K	434.56	Calculated Property
Cp,gas	826.42	J/mol×K	515.33	Calculated Property
Cp,gas	908.21	J/mol×K	596.11	Calculated Property
Cp,gas	980.21	J/mol×K	676.89	Calculated Property
Cp,gas	1042.99	J/mol×K	757.67	Calculated Property
Cp,gas	1097.17	J/mol×K	838.44	Calculated Property
Cp,gas	1143.31	J/mol×K	919.22	Calculated Property
Cp,gas	1182.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-2-en-1-yl tridec-2-yn-1-yl ester.

Sources

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

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