Chemical Properties of Prosta-8(12),13-dien-1-oic acid, 9-(ethoxyimino)-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (13E,15S)- (CAS 56009-45-1)

InChI

InChI=1S/C28H53NO4Si2/c1-9-11-14-17-25(32-34(3,4)5)22-20-24-21-23-27(29-31-10-2)26(24)18-15-12-13-16-19-28(30)33-35(6,7)8/h20,22,25H,9-19,21,23H2,1-8H3/b22-20+,29-27?/t25-/m1/s1

InChI Key

OHZXJEKTFQCOQY-LEGGHNEGSA-N

Formula

C28H53NO4Si2

SMILES

CCCCCC(C=CC1=C(CCCCCCC(=O)O[Si](C)(C)C)C(=NOCC)CC1)O[Si](C)(C)C

Molecular Weight¹

523.90

CAS

56009-45-1

Other Names

• PGB1, ethyl oxime-TMS

• 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	1.0962		Relay (... Calculated Property
ΔfG°	-98.55	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1027.15	kJ/mol	Relay (... Calculated Property
ΔvapH°	107.01	kJ/mol	Relay (... Calculated Property
IE	8.14	eV	Relay (... Calculated Property
log10WS	-5.61		Relay (... Calculated Property
logPoct/wat	8.545		Crippen Calculated Property
Pc	-103.50	kPa	Relay (... Calculated Property ⚠️
Inp	[2766.00; 2766.00]
Inp	2766.00		NIST
Inp	2766.00		NIST
Tboil	667.72	K	Relay (... Calculated Property
Tc	852.15	K	Relay (... Calculated Property
Tfus	312.18	K	Relay (... Calculated Property
Vc	1.707	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Prosta-8(12),13-dien-1-oic acid, 9-(ethoxyimino)-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (13E,15S)-.

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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