Chemical Properties of Cyclononacosasiloxane, octapentacontamethyl

InChI

InChI=1S/C58H174O29Si29/c1-88(2)59-89(3,4)61-91(7,8)63-93(11,12)65-95(15,16)67-97(19,20)69-99(23,24)71-101(27,28)73-103(31,32)75-105(35,36)77-107(39,40)79-109(43,44)81-111(47,48)83-113(51,52)85-115(55,56)87-116(57,58)86-114(53,54)84-112(49,50)82-110(45,46)80-108(41,42)78-106(37,38)76-104(33,34)74-102(29,30)72-100(25,26)70-98(21,22)68-96(17,18)66-94(13,14)64-92(9,10)62-90(5,6)60-88/h1-58H3

InChI Key

GBMHYYXNBXNGDG-UHFFFAOYSA-N

Formula

C58H174O29Si29

SMILES

C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1

Molecular Weight¹

2150.46

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• 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
ΔvapH°	132.58	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	20.834		Crippen Calculated Property
Inp	[4643.00; 4643.00]
Inp	4643.00		NIST
Inp	4643.00		NIST
Tboil	1043.86	K	Relay (1.0) Calculated Property
Tc	857.34	K	Relay (1.0) Calculated Property
Tfus	10.00	K	Relay (1.0) Calculated Property
Vc	6.883	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Cyclononacosasiloxane, octapentacontamethyl.

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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