Chemical Properties of Succinic acid, tridec-2-yn-1-yl 3-heptyl ester

InChI

InChI=1S/C24H42O4/c1-4-7-9-10-11-12-13-14-15-16-17-21-27-23(25)19-20-24(26)28-22(6-3)18-8-5-2/h22H,4-15,18-21H2,1-3H3

InChI Key

ZCWBNJFNEHESFZ-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(CC)CCCC

Molecular Weight¹

394.59

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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
ΔfusH°	66.25	kJ/mol	Joback Calculated Property
ΔvapH°	113.18	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	6.356		Crippen Calculated Property
McVol	355.300	ml/mol	McGowan Calculated Property
Inp	[2686.00; 2686.00]
Inp	2686.00		NIST
Inp	2686.00		NIST
Tboil	629.40	K	Relay (1.0) Calculated Property
Tc	825.66	K	Relay (1.0) Calculated Property
Tfus	273.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1148.05; 1241.15]	J/mol×K	[873.72; 1070.27]
Cp,gas	1148.05	J/mol×K	873.72	Joback Calculated Property
Cp,gas	1166.83	J/mol×K	906.48	Joback Calculated Property
Cp,gas	1184.26	J/mol×K	939.24	Joback Calculated Property
Cp,gas	1200.39	J/mol×K	971.99	Joback Calculated Property
Cp,gas	1215.22	J/mol×K	1004.75	Joback Calculated Property
Cp,gas	1228.80	J/mol×K	1037.51	Joback Calculated Property
Cp,gas	1241.15	J/mol×K	1070.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 3-heptyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.