Chemical Properties of Glutaric acid, but-3-yn-2-yl 3-phenoxybenzyl ester

InChI

InChI=1S/C22H22O5/c1-3-17(2)26-22(24)14-8-13-21(23)25-16-18-9-7-12-20(15-18)27-19-10-5-4-6-11-19/h1,4-7,9-12,15,17H,8,13-14,16H2,2H3

InChI Key

BDDZTMKACAOCIR-UHFFFAOYSA-N

Formula

C22H22O5

SMILES

C#CC(C)OC(=O)CCCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

366.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[857.28; 915.47]	J/mol×K	[889.84; 1116.99]
Cp,gas	857.28	J/mol×K	889.84	Joback Calculated Property
Cp,gas	870.55	J/mol×K	927.70	Joback Calculated Property
Cp,gas	882.34	J/mol×K	965.56	Joback Calculated Property
Cp,gas	892.69	J/mol×K	1003.41	Joback Calculated Property
Cp,gas	901.63	J/mol×K	1041.27	Joback Calculated Property
Cp,gas	909.21	J/mol×K	1079.13	Joback Calculated Property
Cp,gas	915.47	J/mol×K	1116.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 3-phenoxybenzyl 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

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