Chemical Properties of Tetrahydrocortisol, TMS

InChI

InChI=1S/C33H66O5Si4/c1-31-19-17-25(36-40(6,7)8)21-24(31)15-16-26-27-18-20-33(38-42(12,13)14,29(34)23-35-39(3,4)5)32(27,2)22-28(30(26)31)37-41(9,10)11/h24-28,30H,15-23H2,1-14H3

InChI Key

FHFQXMWINWAKEZ-UHFFFAOYSA-N

Formula

C33H66O5Si4

SMILES

CC12CCC(O[Si](C)(C)C)CC1CCC1C2C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C

Molecular Weight¹

655.22

Other Names

• Tetrahydrocortisol, tetrakis-TMS
• Tetrahydrocortisol tetra-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	0.8144		Relay (... Calculated Property
ΔfG°	-211.36	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1492.18	kJ/mol	Relay (... Calculated Property
ΔvapH°	111.00	kJ/mol	Relay (... Calculated Property
IE	8.78	eV	Relay (... Calculated Property
log10WS	-6.74		Relay (... Calculated Property
logPoct/wat	9.090		Crippen Calculated Property
Pc	-777.39	kPa	Relay (... Calculated Property ⚠️
Inp	[3118.00; 3131.00]
Inp	3118.00		NIST
Inp	3131.00		NIST
Inp	3127.00		NIST
Tboil	735.21	K	Relay (... Calculated Property
Tc	999.83	K	Relay (... Calculated Property
Tfus	377.37	K	Relay (... Calculated Property
Vc	2.113	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrocortisol, 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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