Chemical Properties of Butyrospermol, TMS

InChI

InChI=1S/C33H60OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h15,23-26,28-29H,12-14,16-22H2,1-11H3/t24-,25+,26?,28?,29+,31-,32+,33-/m0/s1

InChI Key

GAQWPEXNMKMRPW-XCYNXUCSSA-N

Formula

C33H60OSi

SMILES

CC(C)CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O[Si](C)(C)C)CCC4(C)C3CCC12C

Molecular Weight¹

500.91

• 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	0.6689		Relay (1.0) Calculated Property
ΔfG°	221.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-660.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	122.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-8.54		Relay (1.0) Calculated Property
logPoct/wat	10.274		Crippen Calculated Property
Pc	28.38	kPa	Relay (1.0-beta) Calculated Property
Inp	[3366.00; 3366.00]
Inp	3366.00		NIST
Inp	3366.00		NIST
Tboil	697.84	K	Relay (1.0) Calculated Property
Tc	959.37	K	Relay (1.0) Calculated Property
Tfus	396.68	K	Relay (1.0) Calculated Property
Vc	1.687	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Butyrospermol, 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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