Chemical Properties of Prosta-8(12),13-dien-1-oic acid, 9-(methoxyimino)-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 72150-31-3)

InChI

InChI=1S/C27H51NO4Si2/c1-9-10-13-16-24(31-33(3,4)5)21-19-23-20-22-26(28-30-2)25(23)17-14-11-12-15-18-27(29)32-34(6,7)8/h19,21,24H,9-18,20,22H2,1-8H3/b21-19+,28-26?

InChI Key

ZGUGYUAUEGQMTR-LLYMUGNLSA-N

Formula

C27H51NO4Si2

SMILES

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

Molecular Weight¹

509.87

CAS

72150-31-3

Other Names

• PGB1, methyl 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	1.0614		Relay (1.0) Calculated Property
ΔfG°	-78.22	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-998.79	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	8.155		Crippen Calculated Property
Pc	-71.08	kPa	Relay (1.0-beta) Calculated Property
Inp	[2696.00; 2696.00]
Inp	2696.00		NIST
Inp	2696.00		NIST
Tboil	658.56	K	Relay (1.0) Calculated Property
Tc	845.99	K	Relay (1.0) Calculated Property
Tfus	319.67	K	Relay (1.0) Calculated Property
Vc	1.649	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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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