Chemical Properties of PGF 1A, TMS

InChI

InChI=1S/C32H68O5Si4/c1-14-15-18-21-27(34-38(2,3)4)24-25-29-28(22-19-16-17-20-23-32(33)37-41(11,12)13)30(35-39(5,6)7)26-31(29)36-40(8,9)10/h24-25,27-31H,14-23,26H2,1-13H3/b25-24+/t27-,28+,29+,30-,31+/m1/s1

InChI Key

FKCQXUAYSAIKMH-RYPWDAMISA-N

Formula

C32H68O5Si4

SMILES

CCCCCC(C=CC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

645.22

• 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	1.0757		Relay (1.0) Calculated Property
ΔfG°	-272.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1651.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-6.72		Relay (1.0) Calculated Property
logPoct/wat	10.138		Crippen Calculated Property
Inp	[2739.00; 2739.00]
Inp	2739.00		NIST
Inp	2739.00		NIST
Tboil	690.21	K	Relay (1.0) Calculated Property
Tc	858.86	K	Relay (1.0) Calculated Property
Tfus	311.43	K	Relay (1.0) Calculated Property
Vc	2.158	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 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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