Chemical Properties of THP, TMS

InChI

InChI=1S/C31H57NO4Si5/c1-37(2,3)32-19-18-25-22-30(35-40(10,11)12)31(36-41(13,14)15)23-26(25)27(32)20-24-16-17-28(33-38(4,5)6)29(21-24)34-39(7,8)9/h16-17,21-23,27H,18-20H2,1-15H3

InChI Key

IAPRTSNCZDPMNR-UHFFFAOYSA-N

Formula

C31H57NO4Si5

SMILES

C[Si](C)(C)Oc1ccc(CC2c3cc(O[Si](C)(C)C)c(O[Si](C)(C)C)cc3CCN2[Si](C)(C)C)cc1O[Si](C)(C)C

Molecular Weight¹

648.22

• 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	1.0413		Relay (... Calculated Property
ΔfG°	-5.79	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1117.87	kJ/mol	Relay (... Calculated Property
ΔvapH°	108.79	kJ/mol	Relay (... Calculated Property
IE	7.91	eV	Relay (... Calculated Property
log10WS	-5.56		Relay (... Calculated Property
logPoct/wat	9.518		Crippen Calculated Property
Pc	-862.42	kPa	Relay (... Calculated Property ⚠️
Inp	[2900.00; 2900.00]
Inp	2900.00		NIST
Inp	2900.00		NIST
Tboil	726.19	K	Relay (... Calculated Property
Tc	978.20	K	Relay (... Calculated Property
Tfus	373.46	K	Relay (... Calculated Property
Vc	2.093	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to THP, 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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