Chemical Properties of Cardanol C17:1 (TMS)

InChI

InChI=1S/C26H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(24-25)27-28(2,3)4/h10-11,20,22-24H,5-9,12-19,21H2,1-4H3/b11-10+

InChI Key

ZPSDLHGBWIGWRZ-KHPPLWFESA-N

Formula

C26H46OSi

SMILES

CCCCCC/C=C\CCCCCCCCCc1cccc(O[Si](C)(C)C)c1

Molecular Weight¹

402.74

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9736		Relay (1.0) Calculated Property
ΔvapH°	114.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-8.19		Relay (1.0) Calculated Property
logPoct/wat	9.090		Crippen Calculated Property
Pc	282.25	kPa	Relay (1.0-beta) Calculated Property
Inp	[2679.20; 2679.20]
Inp	2679.20		NIST
Inp	2679.20		NIST
Tboil	651.26	K	Relay (1.0) Calculated Property
Tc	837.14	K	Relay (1.0) Calculated Property
Tfus	263.01	K	Relay (1.0) Calculated Property
Vc	1.423	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, 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 Cardanol C17:1 (TMS).

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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