Chemical Properties of Nonanoic acid, trimethylsilyl ester (CAS 82326-11-2)

InChI

InChI=1S/C12H26O2Si/c1-5-6-7-8-9-10-11-12(13)14-15(2,3)4/h5-11H2,1-4H3

InChI Key

ISTGUORKGWWKMI-UHFFFAOYSA-N

Formula

C12H26O2Si

SMILES

CCCCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

230.42

CAS

82326-11-2

Other Names

• Nonanoic acid, TMS ester
• Nonanoic acid, tms derivative

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• 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
ω	0.6560		Relay (1.0) Calculated Property
ΔfH°gas	-726.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	4.115		Crippen Calculated Property
Pc	1349.57	kPa	Relay (1.0-beta) Calculated Property
Inp	[1354.80; 1369.00]
Inp	1355.00		NIST
Inp	1354.80		NIST
Inp	1358.00		NIST
Inp	1355.00		NIST
Inp	1355.00		NIST
Inp	Outlier 1369.00		NIST
Inp	1354.80		NIST
Inp	1355.00		NIST
Tboil	496.20	K	Relay (1.0) Calculated Property
Tc	666.90	K	Relay (1.0) Calculated Property
Tfus	230.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 Nonanoic acid, trimethylsilyl 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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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