Chemical Properties of GA98, MeTMS

InChI

InChI=1S/C31H56O7Si3/c1-21-16-29-19-31(21,38-41(11,12)13)15-14-23(29)30(20-36-39(5,6)7)18-22(37-40(8,9)10)17-28(2,27(33)35-4)25(30)24(29)26(32)34-3/h22-25H,1,14-20H2,2-13H3/t22-,23-,24-,25-,28-,29+,30-,31+/m0/s1

InChI Key

PDKXFCXWWQPGBS-NGJCGDFDSA-N

Formula

C31H56O7Si3

SMILES

C=C1CC23CC1(O[Si](C)(C)C)CCC2C1(CO[Si](C)(C)C)CC(O[Si](C)(C)C)CC(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

625.03

• 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	0.8184		Relay (... Calculated Property
ΔfG°	-398.64	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1591.35	kJ/mol	Relay (... Calculated Property
ΔvapH°	118.16	kJ/mol	Relay (... Calculated Property
IE	8.97	eV	Relay (... Calculated Property
log10WS	-4.39		Relay (... Calculated Property
logPoct/wat	6.773		Crippen Calculated Property
Pc	-421.79	kPa	Relay (... Calculated Property ⚠️
Inp	[2960.00; 2970.00]
Inp	2960.00		NIST
Inp	2966.00		NIST
Inp	2970.00		NIST
Inp	2962.00		NIST
Tboil	709.25	K	Relay (... Calculated Property
Tc	986.40	K	Relay (... Calculated Property
Tfus	349.85	K	Relay (... Calculated Property
Vc	1.901	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA98, 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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