Chemical Properties of cis-5-Dodecenoic acid, (3-cyanopropyl)dimethylsilyl ester

InChI

InChI=1S/C18H33NO2Si/c1-4-5-6-7-8-9-10-11-12-15-18(20)21-22(2,3)17-14-13-16-19/h9-10H,4-8,11-15,17H2,1-3H3

InChI Key

QAZREVMITNNJJY-UHFFFAOYSA-N

Formula

C18H33NO2Si

SMILES

CCCCCC/C=C\CCCC(=O)O[Si](C)(C)CCCC#N

Molecular Weight¹

323.55

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• 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
ΔvapH°	93.92	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.735		Crippen Calculated Property
Inp	[2179.00; 2179.00]
Inp	2179.00		NIST
Inp	2179.00		NIST
Tboil	606.81	K	Relay (1.0) Calculated Property
Tc	801.21	K	Relay (1.0) Calculated Property
Tfus	256.45	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.

Similar Compounds

Find more compounds similar to cis-5-Dodecenoic acid, (3-cyanopropyl)dimethylsilyl 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
• NIST Webbook

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