Chemical Properties of Silane, [[(3«alpha»,5«beta»)-pregn-20-ene-3,17,20,21-tetrayl]tetrakis(oxy)]tetrakis[trimethyl- (CAS 42599-94-0)

InChI

InChI=1S/C33H66O4Si4/c1-31-20-17-26(35-39(6,7)8)23-25(31)15-16-27-28(31)18-21-32(2)29(27)19-22-33(32,37-41(12,13)14)30(36-40(9,10)11)24-34-38(3,4)5/h24-29H,15-23H2,1-14H3/b30-24-/t25-,26-,27-,28+,29+,31+,32+,33+/m0/s1

InChI Key

YCSSNBJCYDGPCA-WBZRBYKWSA-N

Formula

C33H66O4Si4

SMILES

CC12CCC(O[Si](C)(C)C)CC1CCC1C2CCC2(C)C1CCC2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

639.22

CAS

42599-94-0

Other Names

• 3,17,20,21-Tetrakis[(trimethylsilyl)oxy]-(3«alpha»,5«beta»)-pregn-20-ene
• 3B,17A,21-Trihydroxy-5B-pregnan-20-one, TMS

• 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	0.7837		Relay (1.0) Calculated Property
ΔfG°	-63.07	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1327.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-7.23		Relay (1.0) Calculated Property
logPoct/wat	10.384		Crippen Calculated Property
Pc	-870.59	kPa	Relay (1.0-beta) Calculated Property
Inp	[2998.00; 2998.00]
Inp	2998.00		NIST
Inp	2998.00		NIST
Tboil	720.97	K	Relay (1.0) Calculated Property
Tc	976.16	K	Relay (1.0) Calculated Property
Tfus	371.34	K	Relay (1.0) Calculated Property
Vc	2.087	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Silane, [[(3«alpha»,5«beta»)-pregn-20-ene-3,17,20,21-tetrayl]tetrakis(oxy)]tetrakis[trimethyl-.

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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