Chemical Properties of GA53, MeTMS

InChI

InChI=1S/C25H40O5Si/c1-16-14-24-15-25(16,30-31(6,7)8)13-10-17(24)22(2)11-9-12-23(3,21(27)29-5)19(22)18(24)20(26)28-4/h17-19H,1,9-15H2,2-8H3/t17?,18-,19?,22+,23-,24+,25+/m0/s1

InChI Key

TVWDMRKJNXNYSE-KAHVLJCKSA-N

Formula

C25H40O5Si

SMILES

C=C1CC23CC1(O[Si](C)(C)C)CCC2C1(C)CCCC(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

448.67

Other Names

• GA53, methyl ester TMS ether
• Gibberellin GA53, methyl ester trimethylsilyl ether

• 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	0.6458		Relay (... Calculated Property
ΔfG°	-260.36	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1050.41	kJ/mol	Relay (... Calculated Property
ΔvapH°	112.57	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-3.99		Relay (... Calculated Property
logPoct/wat	5.112		Crippen Calculated Property
Pc	545.93	kPa	Relay (... Calculated Property ⚠️
Inp	[2450.00; 2544.00]
Inp	2503.00		NIST
Inp	2504.00		NIST
Inp	2493.00		NIST
Inp	2503.00		NIST
Inp	2464.00		NIST
Inp	2468.00		NIST
Inp	2468.00		NIST
Inp	2468.00		NIST
Inp	Outlier 2450.00		NIST
Inp	Outlier 2450.00		NIST
Inp	2505.00		NIST
Inp	2495.00		NIST
Inp	2497.00		NIST
Inp	2504.00		NIST
Inp	2505.00		NIST
Inp	2501.00		NIST
Inp	2516.00		NIST
Inp	2505.00		NIST
Inp	2497.00		NIST
Inp	2497.00		NIST
Inp	2497.00		NIST
Inp	2499.00		NIST
Inp	2505.00		NIST
Inp	2505.00		NIST
Inp	2508.00		NIST
Inp	2492.00		NIST
Inp	2493.00		NIST
Inp	2497.00		NIST
Inp	2492.00		NIST
Inp	2490.00		NIST
Inp	Outlier 2540.00		NIST
Inp	Outlier 2544.00		NIST
Inp	2531.00		NIST
Inp	2532.00		NIST
Inp	2498.00		NIST
Inp	2501.00		NIST
Inp	2500.00		NIST
Inp	2500.00		NIST
Inp	2500.00		NIST
Inp	2488.00		NIST
Inp	2466.00		NIST
Inp	2504.00		NIST
Inp	2508.00		NIST
Inp	2466.00		NIST
Inp	2490.00		NIST
Inp	2503.00		NIST
Inp	2468.00		NIST
Tboil	656.36	K	Relay (... Calculated Property
Tc	937.37	K	Relay (... Calculated Property
Tfus	361.62	K	Relay (... Calculated Property
Vc	1.325	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to GA53, MeTMS.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.