Chemical Properties of Glutaric acid, di(but-3-yn-2-yl) ester

InChI

InChI=1S/C13H16O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h1-2,10-11H,7-9H2,3-4H3

InChI Key

MEAKCWZVIFPMNT-UHFFFAOYSA-N

Formula

C13H16O4

SMILES

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

Molecular Weight¹

236.26

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-490.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.07	kJ/mol	Joback Calculated Property
ΔvapH°	78.31	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.286		Crippen Calculated Property
McVol	191.710	ml/mol	McGowan Calculated Property
Pc	2175.46	kPa	Joback Calculated Property
Inp	[1563.00; 1563.00]
Inp	1563.00		NIST
Inp	1563.00		NIST
Tboil	517.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.68; 544.14]	J/mol×K	[592.84; 790.85]
Cp,gas	471.68	J/mol×K	592.84	Joback Calculated Property
Cp,gas	485.73	J/mol×K	625.84	Joback Calculated Property
Cp,gas	498.97	J/mol×K	658.84	Joback Calculated Property
Cp,gas	511.41	J/mol×K	691.85	Joback Calculated Property
Cp,gas	523.08	J/mol×K	724.85	Joback Calculated Property
Cp,gas	533.98	J/mol×K	757.85	Joback Calculated Property
Cp,gas	544.14	J/mol×K	790.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(but-3-yn-2-yl) ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.