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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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
ΔfG°	-24.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-529.67	kJ/mol	Joback Calculated Property
ΔfusH°	26.40	kJ/mol	Joback Calculated Property
ΔvapH°	74.02	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	3.254		Crippen Calculated Property
McVol	248.940	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback 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
Tboil	860.84	K	Joback Calculated Property
Tc	1110.66	K	Joback Calculated Property
Tfus	641.67	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.72; 1080.84]	J/mol×K	[860.84; 1110.66]
Cp,gas	885.72	J/mol×K	860.84	Joback Calculated Property
Cp,gas	912.88	J/mol×K	902.48	Joback Calculated Property
Cp,gas	941.45	J/mol×K	944.11	Joback Calculated Property
Cp,gas	971.97	J/mol×K	985.75	Joback Calculated Property
Cp,gas	1005.00	J/mol×K	1027.39	Joback Calculated Property
Cp,gas	1041.11	J/mol×K	1069.03	Joback Calculated Property
Cp,gas	1080.84	J/mol×K	1110.66	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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