Chemical Properties of 4-Cyanobenzoic acid, undec-10-enyl ester

InChI

InChI=1S/C19H25NO2/c1-2-3-4-5-6-7-8-9-10-15-22-19(21)18-13-11-17(16-20)12-14-18/h2,11-14H,1,3-10,15H2

InChI Key

RSIRLJLMIYIZFR-UHFFFAOYSA-N

Formula

C19H25NO2

SMILES

C=CCCCCCCCCCOC(=O)c1ccc(C#N)cc1

Molecular Weight¹

299.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.63	kJ/mol	Joback Calculated Property
IE	9.57	eV	Relay (1.0) Calculated Property
log10WS	-6.19		Relay (1.0) Calculated Property
logPoct/wat	5.022		Crippen Calculated Property
McVol	259.330	ml/mol	McGowan Calculated Property
Pc	1410.13	kPa	Joback Calculated Property
Inp	[2322.00; 2322.00]
Inp	2322.00		NIST
Inp	2322.00		NIST
Tboil	665.78	K	Relay (1.0) Calculated Property
Tfus	305.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[774.67; 847.75]	J/mol×K	[840.83; 1048.65]
Cp,gas	774.67	J/mol×K	840.83	Joback Calculated Property
Cp,gas	789.17	J/mol×K	875.47	Joback Calculated Property
Cp,gas	802.68	J/mol×K	910.10	Joback Calculated Property
Cp,gas	815.26	J/mol×K	944.74	Joback Calculated Property
Cp,gas	826.94	J/mol×K	979.37	Joback Calculated Property
Cp,gas	837.75	J/mol×K	1014.01	Joback Calculated Property
Cp,gas	847.75	J/mol×K	1048.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyanobenzoic acid, undec-10-enyl 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.
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