Chemical Properties of adhulupone

InChI

InChI=1S/C24H46O4Si3/c1-14-18(4)21(25)20-22(26-29(5,6)7)19(16-15-17(2)3)23(27-30(8,9)10)24(20)28-31(11,12)13/h15,18,23H,14,16H2,1-13H3

InChI Key

QOTXXWKURYZLJS-UHFFFAOYSA-N

Formula

C24H46O4Si3

SMILES

CCC(C)C(=O)C1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CC=C(C)C)=C1O[Si](C)(C)C

Molecular Weight¹

482.88

• 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	0.7186		Relay (... Calculated Property
ΔfG°	-235.38	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1085.02	kJ/mol	Relay (... Calculated Property
ΔvapH°	77.14	kJ/mol	Relay (... Calculated Property
IE	8.16	eV	Relay (... Calculated Property
log10WS	-4.98		Relay (... Calculated Property
logPoct/wat	7.403		Crippen Calculated Property
Pc	-131.01	kPa	Relay (... Calculated Property ⚠️
Inp	[2124.00; 2166.00]
Inp	2124.00		NIST
Inp	2166.00		NIST
Inp	2124.00		NIST
Tboil	593.57	K	Relay (... Calculated Property
Tc	806.10	K	Relay (... Calculated Property
Tfus	319.08	K	Relay (... Calculated Property
Vc	1.554	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to adhulupone.

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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