Chemical Properties of Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)- (CAS 2112-08-5)

InChI

InChI=1S/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3

InChI Key

GKRMJALKMNRHGF-UHFFFAOYSA-N

Formula

C20H26O4

SMILES

C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

330.42

CAS

2112-08-5

Other Names

• 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester
• Gibberellin A9 methyl ester
• GA9 Me
• GA9, methyl ester
• Gibberelline GA9, methyl ester

• 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°	29.06	kJ/mol	Joback Calculated Property
logPoct/wat	3.254		Crippen Calculated Property
McVol	248.940	ml/mol	McGowan Calculated Property
Inp	[2298.00; 2363.00]
Inp	2349.00		NIST
Inp	2350.00		NIST
Inp	2343.00		NIST
Inp	2322.00		NIST
Inp	2337.00		NIST
Inp	2339.00		NIST
Inp	2326.00		NIST
Inp	2327.00		NIST
Inp	2305.00		NIST
Inp	2305.00		NIST
Inp	Outlier 2362.00		NIST
Inp	Outlier 2363.00		NIST
Inp	2352.00		NIST
Inp	2321.00		NIST
Inp	2319.00		NIST
Inp	2319.00		NIST
Inp	2312.00		NIST
Inp	2313.00		NIST
Inp	2332.00		NIST
Inp	2298.00		NIST
Inp	2298.00		NIST
Inp	2309.00		NIST
Inp	2310.00		NIST
Inp	2310.00		NIST
Inp	2310.00		NIST
Inp	2305.00		NIST
Inp	2332.00		NIST
Inp	2334.00		NIST
Inp	2334.00		NIST
Inp	2346.00		NIST
Inp	2300.00		NIST
Inp	2327.00		NIST
Inp	2320.00		NIST
Inp	2305.00		NIST
Inp	2321.00		NIST
Inp	2332.00		NIST
Inp	2309.00		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	[839.05; 991.37]	J/mol×K	[797.88; 1027.71]
Cp,gas	839.05	J/mol×K	797.88	Joback Calculated Property
Cp,gas	861.49	J/mol×K	836.19	Joback Calculated Property
Cp,gas	884.46	J/mol×K	874.49	Joback Calculated Property
Cp,gas	908.46	J/mol×K	912.80	Joback Calculated Property
Cp,gas	933.96	J/mol×K	951.10	Joback Calculated Property
Cp,gas	961.44	J/mol×K	989.41	Joback Calculated Property
Cp,gas	991.37	J/mol×K	1027.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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