Chemical Properties of 19-Hydroxy PGD2 TMS

InChI

InChI=1S/C32H64O6Si4/c1-26(35-39(2,3)4)19-18-20-27(36-40(5,6)7)23-24-28-29(31(25-30(28)33)37-41(8,9)10)21-16-14-15-17-22-32(34)38-42(11,12)13/h14,16,23-24,26-29,31H,15,17-22,25H2,1-13H3/b16-14-,24-23+/t26?,27-,28?,29+,31-/m0/s1

InChI Key

ODPSUMWGPBMPTR-FSAUPZBFSA-N

Formula

C32H64O6Si4

SMILES

CC(CCCC(C=CC1C(=O)CC(O[Si](C)(C)C)C1CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

657.19

• 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	1.0203		Relay (1.0) Calculated Property
ΔfG°	-309.01	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1745.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	111.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	9.093		Crippen Calculated Property
Inp	[2845.00; 2845.00]
Inp	2845.00		NIST
Inp	2845.00		NIST
Tboil	704.74	K	Relay (1.0) Calculated Property
Tc	877.73	K	Relay (1.0) Calculated Property
Tfus	341.76	K	Relay (1.0) Calculated Property
Vc	2.095	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 19-Hydroxy PGD2 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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