Chemical Properties of GA20-Open lactone-1(10)-ene, Me-TMS

InChI

InChI=1S/C24H36O5Si/c1-15-13-23-14-24(15,29-30(5,6)7)12-10-17(23)16-9-8-11-22(2,21(26)28-4)18(16)19(23)20(25)27-3/h9,17-19H,1,8,10-14H2,2-7H3/t17-,18+,19+,22+,23-,24-/m1/s1

InChI Key

XQRPEXKQKURYHE-JNRLCXJYSA-N

Formula

C24H36O5Si

SMILES

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

Molecular Weight¹

432.63

• 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	0.6111		Relay (... Calculated Property
ΔfG°	-222.47	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-953.30	kJ/mol	Relay (... Calculated Property
ΔvapH°	109.82	kJ/mol	Relay (... Calculated Property
IE	8.53	eV	Relay (... Calculated Property
log10WS	-3.64		Relay (... Calculated Property
logPoct/wat	4.642		Crippen Calculated Property
Pc	559.59	kPa	Relay (... Calculated Property ⚠️
Inp	[2429.00; 2429.00]
Inp	2429.00		NIST
Inp	2429.00		NIST
Tboil	647.68	K	Relay (... Calculated Property
Tc	927.27	K	Relay (... Calculated Property
Tfus	371.08	K	Relay (... Calculated Property
Vc	1.250	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA20-Open lactone-1(10)-ene, Me-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

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