Chemical Properties of Heptacosanoic acid, TBDMS

InChI

InChI=1S/C33H68O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(34)35-36(5,6)33(2,3)4/h7-31H2,1-6H3

InChI Key

ZKWBBRPBCNPPOA-UHFFFAOYSA-N

Formula

C33H68O2Si

SMILES

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

Molecular Weight¹

524.98

• 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
ΔfH°gas	-1128.97	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	142.41	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	-10.34		Relay (1.0) Calculated Property
logPoct/wat	12.307		Crippen Calculated Property
Inp	[3396.00; 3396.00]
Inp	3396.00		NIST
Inp	3396.00		NIST
Tboil	664.95	K	Relay (1.0) Calculated Property
Tc	872.67	K	Relay (1.0) Calculated Property
Tfus	317.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Similar Compounds

Find more compounds similar to Heptacosanoic acid, TBDMS.

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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