Chemical Properties of Succinic acid, hex-4-yn-3-yl tetrahydrofurfuryl ester

InChI

InChI=1S/C15H22O5/c1-3-6-12(4-2)20-15(17)9-8-14(16)19-11-13-7-5-10-18-13/h12-13H,4-5,7-11H2,1-2H3

InChI Key

YGWUERSTLJGXMJ-UHFFFAOYSA-N

Formula

C15H22O5

SMILES

CC#CC(CC)OC(=O)CCC(=O)OCC1CCCO1

Molecular Weight¹

282.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[323.28; 751.64]	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			1.27840e+01
Coefficient B			1.30404e+00
Coefficient C			-6.27560e-04
Coefficient D			6.23800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.28	J/mol×K	273.00	Calculated Property
Cp,gas	398.34	J/mol×K	353.78	Calculated Property
Cp,gas	466.07	J/mol×K	434.56	Calculated Property
Cp,gas	526.68	J/mol×K	515.33	Calculated Property
Cp,gas	580.35	J/mol×K	596.11	Calculated Property
Cp,gas	627.29	J/mol×K	676.89	Calculated Property
Cp,gas	667.69	J/mol×K	757.67	Calculated Property
Cp,gas	701.75	J/mol×K	838.44	Calculated Property
Cp,gas	729.67	J/mol×K	919.22	Calculated Property
Cp,gas	751.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl tetrahydrofurfuryl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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