Chemical Properties of Succinic acid, tridec-2-yn-1-yl cyclopentyl ester

InChI

InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-25-21(23)17-18-22(24)26-20-15-12-13-16-20/h20H,2-10,12-13,15-19H2,1H3

InChI Key

YGQYYBWVBREAHW-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC1CCCC1

Molecular Weight¹

364.53

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-809.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.37	kJ/mol	Joback Calculated Property
ΔvapH°	113.45	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.330		Crippen Calculated Property
McVol	316.260	ml/mol	McGowan Calculated Property
Inp	[2737.00; 2737.00]
Inp	2737.00		NIST
Inp	2737.00		NIST
Tfus	292.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, 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	[1033.16; 1123.36]	J/mol×K	[879.62; 1084.53]
Cp,gas	1033.16	J/mol×K	879.62	Joback Calculated Property
Cp,gas	1051.35	J/mol×K	913.77	Joback Calculated Property
Cp,gas	1068.24	J/mol×K	947.92	Joback Calculated Property
Cp,gas	1083.85	J/mol×K	982.08	Joback Calculated Property
Cp,gas	1098.22	J/mol×K	1016.23	Joback Calculated Property
Cp,gas	1111.38	J/mol×K	1050.38	Joback Calculated Property
Cp,gas	1123.36	J/mol×K	1084.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl cyclopentyl 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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