Chemical Properties of GA34, methyl ester

InChI

InChI=1S/C20H26O6/c1-9-6-19-7-10(9)4-5-12(19)20-8-11(21)15(22)18(2,17(24)26-20)14(20)13(19)16(23)25-3/h10-15,21-22H,1,4-8H2,2-3H3/t10?,11-,12+,13+,14+,15-,18-,19-,20+/m1/s1

InChI Key

KWOJOQRTFRJBKX-BLYQCQJHSA-N

Formula

C20H26O6

SMILES

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

Molecular Weight¹

362.42

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7256		Relay (1.0) Calculated Property
ΔfG°	-313.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.71	kJ/mol	Joback Calculated Property
ΔvapH°	141.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	1.195		Crippen Calculated Property
McVol	260.680	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[2722.00; 2722.00]
Inp	2722.00		NIST
Inp	2722.00		NIST
Tboil	672.69	K	Relay (1.0) Calculated Property
Tc	996.29	K	Relay (1.0) Calculated Property
Tfus	439.21	K	Relay (1.0) Calculated Property
Vc	0.973	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1062.83; 1326.58]	J/mol×K	[1035.86; 1272.35]
Cp,gas	1062.83	J/mol×K	1035.86	Joback Calculated Property
Cp,gas	1097.47	J/mol×K	1075.27	Joback Calculated Property
Cp,gas	1135.23	J/mol×K	1114.69	Joback Calculated Property
Cp,gas	1176.56	J/mol×K	1154.10	Joback Calculated Property
Cp,gas	1221.93	J/mol×K	1193.52	Joback Calculated Property
Cp,gas	1271.78	J/mol×K	1232.93	Joback Calculated Property
Cp,gas	1326.58	J/mol×K	1272.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to GA34, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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