Chemical Properties of 19-Hydroxy PGF1 TMS

InChI

InChI=1S/C35H74O6Si5/c1-29(37-42(2,3)4)22-21-23-30(38-43(5,6)7)26-27-32-31(24-19-17-18-20-25-35(36)41-46(14,15)16)33(39-44(8,9)10)28-34(32)40-45(11,12)13/h17,19,26-27,29-34H,18,20-25,28H2,1-16H3/b19-17-,27-26+/t29?,30-,31+,32+,33-,34+/m1/s1

InChI Key

XKRJXXGENFAMCE-OFDMANLSSA-N

Formula

C35H74O6Si5

SMILES

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

731.39

• 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	1.0729		Relay (1.0) Calculated Property
ΔfG°	-288.57	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1903.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	110.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-6.28		Relay (1.0) Calculated Property
logPoct/wat	10.744		Crippen Calculated Property
Pc	-1179.79	kPa	Relay (1.0-beta) Calculated Property
Inp	[2929.00; 2929.00]
Inp	2929.00		NIST
Inp	2929.00		NIST
Tboil	717.25	K	Relay (1.0) Calculated Property
Tc	878.12	K	Relay (1.0) Calculated Property
Tfus	316.63	K	Relay (1.0) Calculated Property
Vc	2.396	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 19-Hydroxy PGF1 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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