Chemical Properties of Geranylgeraniol, tert-butyldimethylsilyl ether

InChI

InChI=1S/C26H48OSi/c1-22(2)14-11-15-23(3)16-12-17-24(4)18-13-19-25(5)20-21-27-28(9,10)26(6,7)8/h14,16,18,20H,11-13,15,17,19,21H2,1-10H3/b23-16+,24-18+,25-20+

InChI Key

GROPSQHBCZQTSG-BLFWJMSPSA-N

Formula

C26H48OSi

SMILES

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

Molecular Weight¹

404.74

Other Names

• Geranylgeraniol, tbdms derivative

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6557		Relay (1.0) Calculated Property
ΔfG°	232.96	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-556.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.10	kJ/mol	Relay (1.0) Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	-7.07		Relay (1.0) Calculated Property
logPoct/wat	9.154		Crippen Calculated Property
Pc	617.90	kPa	Relay (1.0-beta) Calculated Property
Inp	[2479.60; 2479.60]
Inp	2479.60		NIST
Inp	2479.60		NIST
Tboil	618.73	K	Relay (1.0) Calculated Property
Tc	801.23	K	Relay (1.0) Calculated Property
Tfus	256.03	K	Relay (1.0) Calculated Property
Vc	1.369	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Geranylgeraniol, tert-butyldimethylsilyl ether.

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

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