Chemical Properties of 16«alpha»,17-H2 (OH)2 GA34, MeTMS

InChI

InChI=1S/C34H66O8Si4/c1-31-20-24(40-44(8,9)10)28(41-45(11,12)13)32(2,30(36)38-4)27(31)26(29(35)37-3)33-19-23(17-18-25(31)33)34(21-33,42-46(14,15)16)22-39-43(5,6)7/h23-28H,17-22H2,1-16H3/t23?,24-,25-,26+,27-,28-,31-,32-,33+,34-/m1/s1

InChI Key

FKRIPRVKSLCOLF-UUKOHDQQSA-N

Formula

C34H66O8Si4

SMILES

COC(=O)C1C2C(C)(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2(C)C(=O)OC)C2CCC3CC12CC3(CO[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

715.23

• 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.
• 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	0.9117		Relay (1.0) Calculated Property
ΔfG°	-540.41	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1919.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	7.683		Crippen Calculated Property
Inp	[3033.00; 3036.00]
Inp	3033.00		NIST
Inp	3036.00		NIST
Tboil	732.41	K	Relay (1.0) Calculated Property
Tc	1006.22	K	Relay (1.0) Calculated Property
Tfus	355.79	K	Relay (1.0) Calculated Property
Vc	2.222	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 16«alpha»,17-H2 (OH)2 GA34, MeTMS.

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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