Chemical Properties of 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 2«beta»-hydroxy-1,4a-dimethyl-8-methylene-, dimethyl ester (CAS 4968-37-0)

InChI

InChI=1S/C22H32O5/c1-12-10-22-11-13(12)6-7-14(22)20(2)9-8-15(23)21(3,19(25)27-5)17(20)16(22)18(24)26-4/h13-17,23H,1,6-11H2,2-5H3

InChI Key

DPQAHZLQZRYRNU-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

C=C1CC23CC1CCC2C1(C)CCC(O)C(C)(C(=O)OC)C1C3C(=O)OC

Molecular Weight¹

376.49

CAS

4968-37-0

Other Names

• 2«beta»-OH GA12 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°	36.03	kJ/mol	Joback Calculated Property
logPoct/wat	3.108		Crippen Calculated Property
McVol	293.850	ml/mol	McGowan Calculated Property
Inp	[2541.00; 2541.00]
Inp	2541.00		NIST
Inp	2541.00		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	[1079.63; 1269.92]	J/mol×K	[932.55; 1154.90]
Cp,gas	1079.63	J/mol×K	932.55	Joback Calculated Property
Cp,gas	1106.91	J/mol×K	969.61	Joback Calculated Property
Cp,gas	1135.47	J/mol×K	1006.67	Joback Calculated Property
Cp,gas	1165.68	J/mol×K	1043.72	Joback Calculated Property
Cp,gas	1197.92	J/mol×K	1080.78	Joback Calculated Property
Cp,gas	1232.54	J/mol×K	1117.84	Joback Calculated Property
Cp,gas	1269.92	J/mol×K	1154.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 2«beta»-hydroxy-1,4a-dimethyl-8-methylene-, dimethyl 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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