Chemical Properties of Trimethylsilyl triacontanoate (CAS 1206693-37-9)

InChI

InChI=1S/C33H68O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(34)35-36(2,3)4/h5-32H2,1-4H3

InChI Key

PEVGIHYISVLWPO-UHFFFAOYSA-N

Formula

C33H68O2Si

SMILES

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

Molecular Weight¹

524.98

CAS

1206693-37-9

• 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.
• 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	1.3976		Relay (1.0) Calculated Property
ΔfH°gas	-1153.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	151.80	kJ/mol	Relay (1.0) Calculated Property
IE	10.41	eV	Relay (1.0) Calculated Property
log10WS	-10.68		Relay (1.0) Calculated Property
logPoct/wat	12.307		Crippen Calculated Property
Inp	[3426.20; 3426.20]
Inp	3426.20		NIST
Inp	3426.20		NIST
Tboil	672.41	K	Relay (1.0) Calculated Property
Tc	852.76	K	Relay (1.0) Calculated Property
Tfus	329.39	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 Trimethylsilyl triacontanoate.

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.
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