Chemical Properties of Prosta-8(12),13-dien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (13E,15S)- (CAS 56009-41-7)

InChI

InChI=1S/C26H48O4Si2/c1-8-9-12-15-23(29-31(2,3)4)20-18-22-19-21-25(27)24(22)16-13-10-11-14-17-26(28)30-32(5,6)7/h18,20,23H,8-17,19,21H2,1-7H3/b20-18+/t23-/m1/s1

InChI Key

IUFSUDSDJVIXHR-KBDAKURLSA-N

Formula

C26H48O4Si2

SMILES

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

Molecular Weight¹

480.83

CAS

56009-41-7

Other Names

• PGB1 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	0.9851		Relay (1.0) Calculated Property
ΔfG°	-233.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1132.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	7.721		Crippen Calculated Property
Pc	113.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[2880.00; 2880.00]
Inp	2880.00		NIST
Inp	2880.00		NIST
Tboil	659.23	K	Relay (1.0) Calculated Property
Tc	847.30	K	Relay (1.0) Calculated Property
Tfus	316.15	K	Relay (1.0) Calculated Property
Vc	1.576	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Prosta-8(12),13-dien-1-oic acid, 9-oxo-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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