Chemical Properties of 2,3-Dehydro-[14C]GA9 methyl ester

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-/m0/s1

InChI Key

VWPPKHJWYLVPJJ-RKWHRFJJSA-N

Formula

C20H24O4

SMILES

C=C1CC23CC1CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

328.40

Other Names

• 2,3-Dehydro-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°	5.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-471.89	kJ/mol	Joback Calculated Property
ΔfusH°	27.62	kJ/mol	Joback Calculated Property
ΔvapH°	74.32	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	3.030		Crippen Calculated Property
McVol	244.640	ml/mol	McGowan Calculated Property
Pc	1989.43	kPa	Joback Calculated Property
Inp	[2298.00; 2301.00]
Inp	2301.00		NIST
Inp	2298.00		NIST
Inp	2301.00		NIST
Tboil	860.00	K	Joback Calculated Property
Tc	1111.71	K	Joback Calculated Property
Tfus	642.43	K	Joback Calculated Property
Vc	0.939	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[856.88; 1048.91]	J/mol×K	[860.00; 1111.71]
Cp,gas	856.88	J/mol×K	860.00	Joback Calculated Property
Cp,gas	883.23	J/mol×K	901.95	Joback Calculated Property
Cp,gas	911.08	J/mol×K	943.90	Joback Calculated Property
Cp,gas	941.00	J/mol×K	985.85	Joback Calculated Property
Cp,gas	973.57	J/mol×K	1027.81	Joback Calculated Property
Cp,gas	1009.34	J/mol×K	1069.76	Joback Calculated Property
Cp,gas	1048.91	J/mol×K	1111.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dehydro-[14C]GA9 methyl ester.

Sources

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

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