Chemical Properties of C-Methylthrearic acid, TMS

InChI

InChI=1S/C17H40O6Si4/c1-17(23-27(11,12)13,16(19)22-26(8,9)10)14(20-24(2,3)4)15(18)21-25(5,6)7/h14H,1-13H3/t14-,17+/m1/s1

InChI Key

JCFLZSFDCXYOFI-PBHICJAKSA-N

Formula

C17H40O6Si4

SMILES

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

Molecular Weight¹

452.84

• 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	0.7333		Relay (... Calculated Property
ΔfG°	-656.98	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1648.07	kJ/mol	Relay (... Calculated Property
ΔvapH°	71.13	kJ/mol	Relay (... Calculated Property
IE	9.77	eV	Relay (... Calculated Property
log10WS	-2.73		Relay (... Calculated Property
logPoct/wat	4.573		Crippen Calculated Property
Pc	307.29	kPa	Relay (... Calculated Property ⚠️
Inp	[1574.00; 1574.00]
Inp	1574.00		NIST
Inp	1574.00		NIST
Tboil	543.26	K	Relay (... Calculated Property
Tc	718.58	K	Relay (... Calculated Property
Tfus	305.95	K	Relay (... Calculated Property
Vc	1.486	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to C-Methylthrearic acid, 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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