Chemical Properties of GIBBERELLIC ACID

InChI

InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)

InChI Key

IXORZMNAPKEEDV-UHFFFAOYSA-N

Formula

C19H22O6

SMILES

C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O

Molecular Weight¹

346.38

Other Names

• (+)-Gibberillic acid
• (1«alpha»,2«beta»,4a«alpha»,4b«beta»,10«beta»)-2,4a,7-Trihydroxy-1-methyl-8-methylgibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone
• (3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid
• 2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid, 1,4a-lactone, (1«alpha»,2«beta»,4a«alpha»,4b«beta»,10«beta»)-
• 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.
• Activol
• Berelex
• Brellin
• Cekugib
• GA
• GA3
• Gib-Sol
• Gib-Tabs
• Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1«alpha»,2«beta»,4a«alpha»,4b«beta»,10«beta»)-
• Gibb-tabs
• Gibberellic acid GA3
• Gibberellin
• Gibberellin A3
• Gibberellin X
• Gibberillic acid
• Gibrescol
• Gibreskol
• Grocel
• NCI-C55823
• NSC 14190
• Pro-Gibb
• Pro-Gibb Plus
• Regulex
• Ryzup

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.41; 940.56]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.77080e+02
Coefficient B			3.54192e+00
Coefficient C			-4.00868e-03
Coefficient D			1.78440e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	327.41	J/mol×K	273.00	Calculated Property
Cp,gas	453.26	J/mol×K	353.78	Calculated Property
Cp,gas	551.52	J/mol×K	434.56	Calculated Property
Cp,gas	627.82	J/mol×K	515.33	Calculated Property
Cp,gas	687.80	J/mol×K	596.11	Calculated Property
Cp,gas	737.12	J/mol×K	676.89	Calculated Property
Cp,gas	781.41	J/mol×K	757.67	Calculated Property
Cp,gas	826.32	J/mol×K	838.44	Calculated Property
Cp,gas	877.49	J/mol×K	919.22	Calculated Property
Cp,gas	940.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to GIBBERELLIC ACID.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Joback Method
• Aqueous Solubility Prediction 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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