Chemical Properties of 13,14-Dihydro-15-keto-PGF-1A, TMS

InChI

InChI=1S/C29H60O5Si3/c1-11-12-15-18-24(30)21-22-26-25(19-16-13-14-17-20-29(31)34-37(8,9)10)27(32-35(2,3)4)23-28(26)33-36(5,6)7/h25-28H,11-23H2,1-10H3/t25-,26-,27+,28-/m0/s1

InChI Key

IVVBRCXXRFTEPI-BPXGVECKSA-N

Formula

C29H60O5Si3

SMILES

CCCCCC(=O)CCC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

573.04

• 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.
• 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	1.0826		Relay (1.0) Calculated Property
ΔfG°	-330.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1557.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	8.711		Crippen Calculated Property
Inp	[2771.00; 2771.00]
Inp	2771.00		NIST
Inp	2771.00		NIST
Tboil	683.48	K	Relay (1.0) Calculated Property
Tc	865.30	K	Relay (1.0) Calculated Property
Tfus	323.13	K	Relay (1.0) Calculated Property
Vc	1.898	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 13,14-Dihydro-15-keto-PGF-1A, 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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