Chemical Properties of Geranic acid TMS (CAS 97779-61-8)

InChI

InChI=1S/C13H24O2Si/c1-11(2)8-7-9-12(3)10-13(14)15-16(4,5)6/h8,10H,7,9H2,1-6H3/b12-10+

InChI Key

DJMORKDGMCSRBR-ZRDIBKRKSA-N

Formula

C13H24O2Si

SMILES

CC(C)=CCCC(C)=CC(=O)O[Si](C)(C)C

Molecular Weight¹

240.41

CAS

97779-61-8

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-577.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.80	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	4.057		Crippen Calculated Property
Inp	[1447.60; 1447.60]
Inp	1447.60		NIST
Inp	1447.60		NIST
Tboil	506.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Geranic acid 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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