Chemical Properties of 15(S)-15-Methyl-PGB2, MO-TMS

InChI

InChI=1S/C28H51NO4Si2/c1-10-11-16-22-28(2,33-35(7,8)9)23-21-24-19-20-26(29-31-3)25(24)17-14-12-13-15-18-27(30)32-34(4,5)6/h12,14,21,23H,10-11,13,15-20,22H2,1-9H3/b14-12-,23-21+,29-26+/t28-/m1/s1

InChI Key

SETGIJFTUOUVFV-LLGZSRKNSA-N

Formula

C28H51NO4Si2

SMILES

CCCCCC(C)(C=CC1=C(CC=CCCCC(=O)O[Si](C)(C)C)C(=NOC)CC1)O[Si](C)(C)C

Molecular Weight¹

521.88

• 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	0.9802		Relay (... Calculated Property
ΔfG°	-33.51	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-961.55	kJ/mol	Relay (... Calculated Property
ΔvapH°	106.33	kJ/mol	Relay (... Calculated Property
IE	8.18	eV	Relay (... Calculated Property
log10WS	-5.29		Relay (... Calculated Property
logPoct/wat	8.321		Crippen Calculated Property
Pc	-149.61	kPa	Relay (... Calculated Property ⚠️
Inp	[2758.00; 2758.00]
Inp	2758.00		NIST
Inp	2758.00		NIST
Tboil	666.42	K	Relay (... Calculated Property
Tc	850.81	K	Relay (... Calculated Property
Tfus	312.92	K	Relay (... Calculated Property
Vc	1.655	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 15(S)-15-Methyl-PGB2, MO-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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