Chemical Properties of GA18, MeTMS

InChI

InChI=1S/C28H48O6Si2/c1-18-16-27-17-28(18,34-36(9,10)11)15-12-19(27)25(2)14-13-20(33-35(6,7)8)26(3,24(30)32-5)22(25)21(27)23(29)31-4/h19-22H,1,12-17H2,2-11H3/t19?,20-,21+,22?,25-,26+,27-,28-/m1/s1

InChI Key

MDTYDUOSWPVURF-GREOGJAMSA-N

Formula

C28H48O6Si2

SMILES

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

Molecular Weight¹

536.85

• 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	0.7178		Relay (1.0) Calculated Property
ΔfG°	-345.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1300.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	115.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	5.942		Crippen Calculated Property
Pc	59.50	kPa	Relay (1.0-beta) Calculated Property
Inp	[2624.00; 2656.00]
Inp	2646.00		NIST
Inp	2654.00		NIST
Inp	2656.00		NIST
Inp	Outlier 2624.00		NIST
Inp	2646.00		NIST
Inp	2654.00		NIST
Tboil	680.49	K	Relay (1.0) Calculated Property
Tc	962.98	K	Relay (1.0) Calculated Property
Tfus	361.54	K	Relay (1.0) Calculated Property
Vc	1.614	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to GA18, 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.