Chemical Properties of 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (Z)- (CAS 55530-71-7)

InChI

InChI=1S/C15H30O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h10H,11H2,1-9H3/b12-10-

InChI Key

RHDPKJMZPKZKTA-BENRWUELSA-N

Formula

C15H30O6Si3

SMILES

C[Si](C)(C)OC(=O)C=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

390.65

CAS

55530-71-7

Other Names

• cis-Aconitic acid (3TMS)
• cis-Aconitic acid, tris(trimethylsilyl) ester
• (Z)-Aconitic acid, tris-TMS
• cis-Aconitic acid (tms)
• (Z)-Aconitic acid, TMS
• Aconitic acid, (z)-, 3tms derivative

• 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	0.7847		Relay (... Calculated Property
ΔfG°	-611.80	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1479.67	kJ/mol	Relay (... Calculated Property
ΔvapH°	75.20	kJ/mol	Relay (... Calculated Property
IE	9.92	eV	Relay (... Calculated Property
log10WS	-2.95		Relay (... Calculated Property
logPoct/wat	3.437		Crippen Calculated Property
Pc	731.40	kPa	Relay (... Calculated Property ⚠️
Inp	[1733.00; 1754.00]
Inp	1749.00		NIST
Inp	1754.00		NIST
Inp	1741.40		NIST
Inp	1742.00		NIST
Inp	1735.70		NIST
Inp	1744.00		NIST
Inp	1754.00		NIST
Inp	1733.00		NIST
Inp	1749.00		NIST
Inp	1741.40		NIST
Tboil	558.53	K	Relay (... Calculated Property
Tc	730.91	K	Relay (... Calculated Property
Tfus	316.03	K	Relay (... Calculated Property
Vc	1.226	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (Z)-.

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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