Chemical Properties of 9,11-didehydro GA4

InChI

InChI=1S/C20H24O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h5,11,13-15,21H,1,4,6-9H2,2-3H3/t11?,13-,14+,15+,18+,19-,20+/m1/s1

InChI Key

CSOGGDRRRLWUTQ-FNAXEMECSA-N

Formula

C20H24O5

SMILES

C=C1CC23CC1CC=C2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

344.40

• 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°	-140.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-635.59	kJ/mol	Joback Calculated Property
ΔfusH°	31.32	kJ/mol	Joback Calculated Property
ΔvapH°	91.66	kJ/mol	Joback Calculated Property
log10WS	-3.38		Crippen Calculated Property
logPoct/wat	2.145		Crippen Calculated Property
McVol	250.510	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Inp	[2492.00; 2494.00]
Inp	2492.00		NIST
Inp	2494.00		NIST
Inp	2492.00		NIST
Tboil	957.16	K	Joback Calculated Property
Tc	1195.70	K	Joback Calculated Property
Tfus	715.77	K	Joback Calculated Property
Vc	0.958	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[935.80; 1157.46]	J/mol×K	[957.16; 1195.70]
Cp,gas	935.80	J/mol×K	957.16	Joback Calculated Property
Cp,gas	964.93	J/mol×K	996.92	Joback Calculated Property
Cp,gas	996.55	J/mol×K	1036.67	Joback Calculated Property
Cp,gas	1031.13	J/mol×K	1076.43	Joback Calculated Property
Cp,gas	1069.16	J/mol×K	1116.19	Joback Calculated Property
Cp,gas	1111.10	J/mol×K	1155.95	Joback Calculated Property
Cp,gas	1157.46	J/mol×K	1195.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,11-didehydro GA4.

Sources

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

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