Chemical Properties of [14C] GA15, methyl ester

InChI

InChI=1S/C21H28O4/c1-12-9-21-10-13(12)5-6-14(21)20-8-4-7-19(2,18(23)25-11-20)16(20)15(21)17(22)24-3/h13-16H,1,4-11H2,2-3H3/t13?,14-,15+,16+,19+,20+,21-/m1/s1

InChI Key

SDNANUVFTHNCBP-QNUBZUTLSA-N

Formula

C21H28O4

SMILES

C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)OC

Molecular Weight¹

344.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.89	kJ/mol	Joback Calculated Property
logPoct/wat	3.501		Crippen Calculated Property
McVol	263.030	ml/mol	McGowan Calculated Property
Inp	[2587.00; 2594.00]
Inp	2587.00		NIST
Inp	2588.00		NIST
Inp	2594.00		NIST
Inp	2594.00		NIST
Inp	2594.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[954.19; 1165.40]	J/mol×K	[887.99; 1139.83]
Cp,gas	954.19	J/mol×K	887.99	Joback Calculated Property
Cp,gas	983.54	J/mol×K	929.96	Joback Calculated Property
Cp,gas	1014.48	J/mol×K	971.94	Joback Calculated Property
Cp,gas	1047.57	J/mol×K	1013.91	Joback Calculated Property
Cp,gas	1083.38	J/mol×K	1055.88	Joback Calculated Property
Cp,gas	1122.47	J/mol×K	1097.86	Joback Calculated Property
Cp,gas	1165.40	J/mol×K	1139.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to [14C] GA15, methyl ester.

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
• Joback Method
• McGowan 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.
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