Chemical Properties of [14C] GA15-15,16-ene methyl ester

InChI

InChI=1S/C21H28O4/c1-12-9-21-10-13(12)5-6-14(21)20-8-4-7-19(2,18(23)25-11-20)16(20)15(21)17(22)24-3/h9,13-16H,4-8,10-11H2,1-3H3/t13?,14-,15+,16+,19+,20+,21-/m1/s1

InChI Key

JTJQFHFZNVWSPQ-QNUBZUTLSA-N

Formula

C21H28O4

SMILES

COC(=O)C1C2C3(C)CCCC2(COC3=O)C2CCC3CC12C=C3C

Molecular Weight¹

344.44

Other Names

• GA15-15,16-ene 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°	-60.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-594.40	kJ/mol	Joback Calculated Property
ΔfusH°	28.88	kJ/mol	Joback Calculated Property
ΔvapH°	77.22	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	3.501		Crippen Calculated Property
McVol	263.030	ml/mol	McGowan Calculated Property
Pc	1815.41	kPa	Joback Calculated Property
Inp	[2542.00; 2551.00]
Inp	2551.00		NIST
Inp	2542.00		NIST
Tboil	892.97	K	Joback Calculated Property
Tc	1145.65	K	Joback Calculated Property
Tfus	649.02	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[955.10; 1169.83]	J/mol×K	[892.97; 1145.65]
Cp,gas	955.10	J/mol×K	892.97	Joback Calculated Property
Cp,gas	984.71	J/mol×K	935.08	Joback Calculated Property
Cp,gas	1016.03	J/mol×K	977.20	Joback Calculated Property
Cp,gas	1049.63	J/mol×K	1019.31	Joback Calculated Property
Cp,gas	1086.08	J/mol×K	1061.43	Joback Calculated Property
Cp,gas	1125.96	J/mol×K	1103.54	Joback Calculated Property
Cp,gas	1169.83	J/mol×K	1145.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to [14C] GA15-15,16-ene methyl ester.

Sources

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

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