Chemical Properties of 16«beta», 17-H2-17-OH GA20 methyl ester TMS ether

InChI

InChI=1S/C26H44O6Si2/c1-23-11-9-12-26(31-22(23)28)18-10-13-25(32-34(6,7)8)16-24(18,19(20(23)26)21(27)29-2)14-17(25)15-30-33(3,4)5/h17-20H,9-16H2,1-8H3/t17-,18-,19-,20-,23-,24+,25+,26-/m0/s1

InChI Key

ZLUNTDQCEGJCJM-WGTPPGOWSA-N

Formula

C26H44O6Si2

SMILES

COC(=O)C1C2C3(C)CCCC2(OC3=O)C2CCC3(O[Si](C)(C)C)CC12CC3CO[Si](C)(C)C

Molecular Weight¹

508.80

• 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	0.7298		Relay (... Calculated Property
ΔfG°	-434.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1323.39	kJ/mol	Relay (... Calculated Property
ΔvapH°	113.31	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-3.79		Relay (... Calculated Property
logPoct/wat	5.139		Crippen Calculated Property
Pc	186.89	kPa	Relay (... Calculated Property ⚠️
Inp	[2736.00; 2741.00]
Inp	2741.00		NIST
Inp	2741.00		NIST
Inp	2736.00		NIST
Inp	2737.00		NIST
Tboil	689.26	K	Relay (... Calculated Property
Tc	979.14	K	Relay (... Calculated Property
Tfus	363.14	K	Relay (... Calculated Property
Vc	1.548	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 16«beta», 17-H2-17-OH GA20 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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