Chemical Properties of GA53-aldhyde methyl ester TMS ether

InChI

InChI=1S/C25H38O6Si/c1-16-13-24-14-25(16,31-32(5,6)7)12-9-17(24)23(15-26)11-8-10-22(2,21(28)30-4)19(23)18(24)20(27)29-3/h15,17-19H,1,8-14H2,2-7H3/t17-,18+,19+,22+,23+,24-,25-/m1/s1

InChI Key

LITPYBGNJGOPIR-KWFGKROASA-N

Formula

C25H38O6Si

SMILES

C=C1CC23CC1(O[Si](C)(C)C)CCC2C1(C=O)CCCC(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

462.65

Other Names

• [14C] GA19 methyl ester TMS ether

• 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	0.6744		Relay (... Calculated Property
ΔfG°	-326.28	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1124.94	kJ/mol	Relay (... Calculated Property
ΔvapH°	113.29	kJ/mol	Relay (... Calculated Property
IE	8.91	eV	Relay (... Calculated Property
log10WS	-3.70		Relay (... Calculated Property
logPoct/wat	4.291		Crippen Calculated Property
Pc	589.75	kPa	Relay (... Calculated Property ⚠️
Inp	[2584.00; 2598.00]
Inp	2584.00		NIST
Inp	2598.00		NIST
Tboil	672.52	K	Relay (... Calculated Property
Tc	965.32	K	Relay (... Calculated Property
Tfus	368.72	K	Relay (... Calculated Property
Vc	1.312	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA53-aldhyde methyl ester TMS 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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