Chemical Properties of GA9(w2,3), Me

InChI

InChI=1S/C20H24O4/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/h4,7,12-15H,1,5-6,8-10H2,2-3H3/t12-,13?,14-,15?,18+,19+,20-/m1/s1

InChI Key

VWPPKHJWYLVPJJ-SJOHMHBKSA-N

Formula

C20H24O4

SMILES

C=C1C[C@]23C[C@H]1CCC2[C@@]12CC=C[C@](C)(C(=O)O1)C2[C@@H]3C(=O)OC

Molecular Weight¹

328.41

• 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°	30.28	kJ/mol	Joback Calculated Property
logPoct/wat	3.030		Crippen Calculated Property
McVol	244.640	ml/mol	McGowan Calculated Property
Inp	[2333.00; 2333.00]
Inp	2333.00		NIST
Inp	2333.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.00; 938.15]	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			-3.23710e+02
Coefficient B			3.19794e+00
Coefficient C			-3.35788e-03
Coefficient D			1.42180e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.00	J/mol×K	273.00	Calculated Property
Cp,gas	450.34	J/mol×K	353.78	Calculated Property
Cp,gas	548.55	J/mol×K	434.56	Calculated Property
Cp,gas	627.13	J/mol×K	515.33	Calculated Property
Cp,gas	690.58	J/mol×K	596.11	Calculated Property
Cp,gas	743.38	J/mol×K	676.89	Calculated Property
Cp,gas	790.05	J/mol×K	757.67	Calculated Property
Cp,gas	835.07	J/mol×K	838.44	Calculated Property
Cp,gas	882.93	J/mol×K	919.22	Calculated Property
Cp,gas	938.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to GA9(w2,3), Me.

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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